1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-
TL;DR: 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl- (CAS 54778-21-1) is a chemical compound with molecular formula C10H8ClNO2 and molecular weight 209.02435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-methylindole-3-carboxylic acid
Also Known As: 2-Chloro-1-methyl-1H-indole-3-carboxylic acid, 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-, 2-chloro-1-methylindole-3-carboxylic acid, 5-22-03-00040 (Beilstein Handbook Reference), 1-methyl-2-chloroindole-3-carboxylic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8ClNO2 |
| Molecular Weight | 209.02435 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.02435 Da |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
| SMILES | CN1C2=CC=CC=C2C(=C1Cl)C(=O)O |
| InChIKey | AQPMLAXHNBHLTF-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-
Property Insights of 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-. With a topological polar surface area (TPSA) of 42.2 Ų, 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-?
The CAS number of 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl- is 54778-21-1.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-?
The molecular formula of 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl- is C10H8ClNO2.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-?
The molecular weight of 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl- is 209.02435 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-?
You can request a quote for 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.