6-chloro-1-methyl-1H-indole-2-carboxylic acid
TL;DR: 6-chloro-1-methyl-1H-indole-2-carboxylic acid (CAS 680569-83-9) is a chemical compound with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1-methylindole-2-carboxylic acid
Also Known As: 6-chloro-1-methyl-1H-indole-2-carboxylic acid, 6-chloro-1-methylindole-2-carboxylic acid, 3-methyl-2-phenoxybutanoic acid, 1H-Indole-2-carboxylic acid, 6-chloro-1-methyl-, 6-chloro-1-methyl-indole-2-carboxylic Acid
| Molecular Formula | C10H8ClNO2 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 2.5299 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.02435 |
| Heavy Atoms | 14 |
| Complexity | 516.0615 |
Chemical Identifiers
| CAS Number | 680569-83-9 |
|---|---|
| SMILES | CN1C(=CC2=C1C=C(C=C2)Cl)C(=O)O |
Product Overview
6-chloro-1-methyl-1H-indole-2-carboxylic acid (CAS 680569-83-9), with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol. IUPAC: 6-chloro-1-methylindole-2-carboxylic acid.
Chemical Property Profile of 6-chloro-1-methyl-1H-indole-2-carboxylic acid
Property Insights of 6-chloro-1-methyl-1H-indole-2-carboxylic acid
The XLogP value of 2.5299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-1-methyl-1H-indole-2-carboxylic acid. With a topological polar surface area (TPSA) of 42.23 Ų, 6-chloro-1-methyl-1H-indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-1-methyl-1H-indole-2-carboxylic acid has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-chloro-1-methyl-1H-indole-2-carboxylic acid?
The CAS number of 6-chloro-1-methyl-1H-indole-2-carboxylic acid is 680569-83-9.
What is the molecular formula of 6-chloro-1-methyl-1H-indole-2-carboxylic acid?
The molecular formula of 6-chloro-1-methyl-1H-indole-2-carboxylic acid is C10H8ClNO2.
What is the molecular weight of 6-chloro-1-methyl-1H-indole-2-carboxylic acid?
The molecular weight of 6-chloro-1-methyl-1H-indole-2-carboxylic acid is 209.02 g/mol.
Where can I buy 6-chloro-1-methyl-1H-indole-2-carboxylic acid?
You can request a quote for 6-chloro-1-methyl-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-1-methyl-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-1-methyl-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.