1-benzoyl-5-methoxy-1H-indole
1-benzoyl-5-methoxy-1H-indole structure
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Common Name | 1-benzoyl-5-methoxy-1H-indole | ||
|---|---|---|---|---|
| CAS Number | 21859-82-5 | Molecular Weight | 251.28000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C16H13NO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (5-methoxyindol-1-yl)-phenylmethanone |
|---|---|
| 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.
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.28000 |
| Exact Mass | 251.09500 |
| PSA | 31.23000 |
| LogP | 3.33840 |
| InChIKey | GQERXICLDNNQLW-UHFFFAOYSA-N |
| SMILES | COc1ccc2c(ccn2C(=O)c2ccccc2)c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~75%
1-benzoyl-5-met... CAS#:21859-82-5 |
| Literature: Liou, Jing-Ping; Chang, Yi-Ling; Kuo, Fu-Ming; Chang, Chun-Wei; Tseng, Huan-Yi; Wang, Chiung-Chiu; Yang, Yung-Ning; Chang, Jang-Yang; Lee, Shiow-Ju; Hsieh, Hsing-Pang Journal of Medicinal Chemistry, 2004 , vol. 47, # 17 p. 4247 - 4257 |
|
~86%
1-benzoyl-5-met... CAS#:21859-82-5 |
| Literature: Katritzky, Alan R.; Khelashvili, Levan; Mohapatra, Prabhu P.; Steel, Peter J. Synthesis, 2007 , # 23 p. 3673 - 3677 |
|
~14%
1-benzoyl-5-met... CAS#:21859-82-5 |
| Literature: Bremner, John B.; Samosorn, Siritron; Ambrus, Joseph I. Synthesis, 2004 , # 16 p. 2653 - 2658 |
![(1H-Benzo[d][1,2,3]triazol-1-yl)(phenyl)methanone structure](https://image.chemsrc.com/caspic/295/4231-62-3.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Concentration required for the 50% inhibition of human uterine cancer (MESSA) cell li...
Source: ChEMBL
Target: MES-SA
External Id: CHEMBL833420
|
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Name: Concentration required for the 50% inhibition of human lung caner (A549) cell line gr...
Source: ChEMBL
Target: A549
External Id: CHEMBL833809
|
|
Name: Concentration required for the 50% inhibition of human breast cancer (MCF-7) cell lin...
Source: ChEMBL
Target: MCF7
External Id: CHEMBL833398
|
|
Name: Concentration required for the 50% inhibition of human stomach cancer (NUGC3) cell li...
Source: ChEMBL
Target: NUGC-3
External Id: CHEMBL833419
|
|
Name: Concentration required for the 50% inhibition of human stomach cancer (MKN45) cell li...
Source: ChEMBL
Target: MKN-45
External Id: CHEMBL833418
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-benzoyl-5-methoxy-indole |
| 1-Benzoyl-5-methoxyindol |
| 1H-Indole,1-benzoyl-5-methoxy |
| N-Benzoyl-5-methoxy-indol |
| 1-benzoyl-5-methoxy-1H-indole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of (5-methoxyindol-1-yl)-phenylmethanone? |
| A: Molecular formula of (5-methoxyindol-1-yl)-phenylmethanone is C16H13NO2. |
| Q: What is the SMILES notation of (5-methoxyindol-1-yl)-phenylmethanone? |
| A: SMILES notation of (5-methoxyindol-1-yl)-phenylmethanone is COc1ccc2c(ccn2C(=O)c2ccccc2)c1. |
| Q: What is the polar surface area (PSA) of (5-methoxyindol-1-yl)-phenylmethanone? |
| A: Polar surface area (PSA) of (5-methoxyindol-1-yl)-phenylmethanone is 31.23000. |
| Q: What is the CAS number of (5-methoxyindol-1-yl)-phenylmethanone? |
| A: CAS number of (5-methoxyindol-1-yl)-phenylmethanone is 21859-82-5. |
| Q: What is the LogP of (5-methoxyindol-1-yl)-phenylmethanone? |
| A: LogP of (5-methoxyindol-1-yl)-phenylmethanone is 3.33840. |
| Q: What English synonyms does (5-methoxyindol-1-yl)-phenylmethanone have? |
| A: English synonyms of (5-methoxyindol-1-yl)-phenylmethanone: 1-benzoyl-5-methoxy-indole, 1-Benzoyl-5-methoxyindol, 1H-Indole,1-benzoyl-5-methoxy, N-Benzoyl-5-methoxy-indol, 1-benzoyl-5-methoxy-1H-indole. |
| Q: What are the upstream materials of (5-methoxyindol-1-yl)-phenylmethanone? |
| A: Related upstream materials(CAS) of (5-methoxyindol-1-yl)-phenylmethanone: 1006-94-6;98-88-4;4231-62-3;65-85-0. |
| Q: What is the Chinese name of 21859-82-5? |
| A: Chinese name of 21859-82-5 is 21859-82-5. |
| Q: What is the InChIKey of (5-methoxyindol-1-yl)-phenylmethanone? |
| A: InChIKey of (5-methoxyindol-1-yl)-phenylmethanone is GQERXICLDNNQLW-UHFFFAOYSA-N. |
| Q: What is the English name of (5-methoxyindol-1-yl)-phenylmethanone? |
| A: The English name of (5-methoxyindol-1-yl)-phenylmethanone is (5-methoxyindol-1-yl)-phenylmethanone. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |