5-Methyl-3,4-diphenylisoxazole
5-Methyl-3,4-diphenylisoxazole structure
|
Common Name | 5-Methyl-3,4-diphenylisoxazole | ||
|---|---|---|---|---|
| CAS Number | 37928-17-9 | Molecular Weight | 235.281 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 340.1±21.0 °C at 760 mmHg | |
| Molecular Formula | C16H13NO | Melting Point | 96.0 to 100.0 °C | |
| MSDS | N/A | Flash Point | 100.9±9.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Methyl-3,4-diphenylisoxazole |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 340.1±21.0 °C at 760 mmHg |
| Melting Point | 96.0 to 100.0 °C |
| Molecular Formula | C16H13NO |
| Molecular Weight | 235.281 |
| Flash Point | 100.9±9.7 °C |
| Exact Mass | 235.099716 |
| PSA | 26.03000 |
| LogP | 3.44 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.580 |
| InChIKey | ZXIRUKJWLADSJS-UHFFFAOYSA-N |
| SMILES | Cc1onc(-c2ccccc2)c1-c1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 5 | |
CAS#:26306-06-9
CAS#:64-19-7
CAS#:181696-73-1
CAS#:857259-65-5
CAS#:873-67-6
CAS#:52201-28-2
CAS#:75115-03-6
CAS#:698-16-8
CAS#:83152-72-1
CAS#:80954-52-5
CAS#:181696-35-5
CAS#:181695-72-7
CAS#:1373038-56-2
CAS#:509074-26-4
CAS#:1037546-03-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human COX-2
Source: ChEMBL
Target: Prostaglandin G/H synthase 2
External Id: CHEMBL5543915
|
|
Name: Selectivity index, ratio of IC50 for human COX-2 to IC50 for ovine COX-1
Source: ChEMBL
Target: N/A
External Id: CHEMBL5543900
|
|
Name: In vitro inhibitory concentration against Prostaglandin G/H synthase 2 in human whole...
Source: ChEMBL
Target: Prostaglandin G/H synthase 2
External Id: CHEMBL830991
|
|
Name: In vitro inhibitory concentration against Prostaglandin G/H synthase 1 in human whole...
Source: ChEMBL
Target: Prostaglandin G/H synthase 1
External Id: CHEMBL830990
|
|
Name: Inhibition of ovine COX-1
Source: ChEMBL
Target: Prostaglandin G/H synthase 1
External Id: CHEMBL5543914
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Methyl-3,4-diphenyl-1,2-oxazole |
| 5-Methyl-3,4-diphenyl-isoxazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 5-Methyl-3,4-diphenylisoxazole? |
| A: The English name of 5-Methyl-3,4-diphenylisoxazole is 5-Methyl-3,4-diphenylisoxazole. |
| Q: What is the polar surface area (PSA) of 5-Methyl-3,4-diphenylisoxazole? |
| A: Polar surface area (PSA) of 5-Methyl-3,4-diphenylisoxazole is 26.03000. |
| Q: What is the melting point of 5-Methyl-3,4-diphenylisoxazole? |
| A: Melting point of 5-Methyl-3,4-diphenylisoxazole is 96.0 to 100.0 °C. |
| Q: What is the molecular weight of 5-Methyl-3,4-diphenylisoxazole? |
| A: Molecular weight of 5-Methyl-3,4-diphenylisoxazole is 235.281. |
| Q: What is the InChIKey of 5-Methyl-3,4-diphenylisoxazole? |
| A: InChIKey of 5-Methyl-3,4-diphenylisoxazole is ZXIRUKJWLADSJS-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 5-Methyl-3,4-diphenylisoxazole? |
| A: Molecular formula of 5-Methyl-3,4-diphenylisoxazole is C16H13NO. |
| Q: What is the CAS number of 5-Methyl-3,4-diphenylisoxazole? |
| A: CAS number of 5-Methyl-3,4-diphenylisoxazole is 37928-17-9. |
| Q: What is the LogP of 5-Methyl-3,4-diphenylisoxazole? |
| A: LogP of 5-Methyl-3,4-diphenylisoxazole is 3.44. |
| Q: What English synonyms does 5-Methyl-3,4-diphenylisoxazole have? |
| A: English synonyms of 5-Methyl-3,4-diphenylisoxazole: 5-Methyl-3,4-diphenyl-1,2-oxazole, 5-Methyl-3,4-diphenyl-isoxazole. |
| Q: What are the downstream products of 5-Methyl-3,4-diphenylisoxazole? |
| A: Related downstream products(CAS) of 5-Methyl-3,4-diphenylisoxazole: 181696-35-5;181695-72-7;1373038-56-2;509074-26-4;1037546-03-4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Huangshi Healthday Pharmaceutical Technology Co., Ltd. |
| Dayang Chem (Hangzhou) Co., Ltd. |