1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
![1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine Structure](https://image.chemsrc.com/caspic/089/116409-20-2.png)
1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine structure
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Common Name | 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine | ||
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| CAS Number | 116409-20-2 | Molecular Weight | 441.51700 | |
| Density | 1.204g/cm3 | Boiling Point | 514.6ºC at 760mmHg | |
| Molecular Formula | C25H31NO6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 138.8ºC | |
Summary: 1-[6,7-Dimethyl-8-(3,4,5-Trimethoxyphenyl)-7,8-Dihydro-[1,3]Dioxolo[4,5-g]Chromen-6-yl]Pyrrolidine, CAS Number 116409-20-2, molecular formula C25H31NO6. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.204g/cm3 |
|---|---|
| Boiling Point | 514.6ºC at 760mmHg |
| Molecular Formula | C25H31NO6 |
| Molecular Weight | 441.51700 |
| Flash Point | 138.8ºC |
| Exact Mass | 441.21500 |
| PSA | 58.62000 |
| LogP | 4.35140 |
| Vapour Pressure | 1.07E-10mmHg at 25°C |
| Index of Refraction | 1.568 |
| InChIKey | SMDGYUXIZWCCHF-UHFFFAOYSA-N |
| SMILES | COc1cc(C2c3cc4c(cc3OC(C)(N3CCCC3)C2C)OCO4)cc(OC)c1OC |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~68%
1-[6,7-dimethyl... CAS#:116409-20-2 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 25, # 1 p. 89 - 96 |
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1-[6,7-dimethyl... CAS#:116409-20-2 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 25, # 1 p. 89 - 96 |
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~%
1-[6,7-dimethyl... CAS#:116409-20-2 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 25, # 1 p. 89 - 96 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
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| DownStream 2 | |
![6-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene structure](https://image.chemsrc.com/caspic/013/116409-22-4.png)
CAS#:116409-22-4
CAS#:116409-24-6This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine? |
| A: Polar surface area (PSA) of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine is 58.62000. |
| Q: What is the CAS number of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine? |
| A: CAS number of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine is 116409-20-2. |
| Q: What are the upstream materials of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine? |
| A: Related upstream materials(CAS) of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine: 116409-29-1;78-93-3;533-31-3;86-81-7. |
| Q: What is the boiling point of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine? |
| A: Boiling point of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine is 514.6ºC at 760mmHg. |
| Q: What is the molecular weight of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine? |
| A: Molecular weight of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine is 441.51700. |
| Q: What is the SMILES notation of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine? |
| A: SMILES notation of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine is COc1cc(C2c3cc4c(cc3OC(C)(N3CCCC3)C2C)OCO4)cc(OC)c1OC. |
| Q: What is the Chinese name of 116409-20-2? |
| A: Chinese name of 116409-20-2 is 116409-20-2. |
| Q: What are the downstream products of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine? |
| A: Related downstream products(CAS) of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine: 116409-22-4;116409-24-6. |
| Q: What is the English name of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine? |
| A: The English name of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine is 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine. |
| Q: What is the LogP of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine? |
| A: LogP of 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine is 4.35140. |