Indole-1-carboxylic acid, 4-chloro-, methyl ester
TL;DR: Indole-1-carboxylic acid, 4-chloro-, methyl ester (CAS 81038-36-0) 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.
methyl 4-chloroindole-1-carboxylate
Also Known As: 4-Chloro-1-methoxycarbonylindole, methyl 4-chloroindole-1-carboxylate, Methyl 4-chloro-1H-indole-1-carboxylate, Methyl 4-chloro-1H-indole-1-carboxylate #, Indole-1-carboxylic acid, 4-chloro-, methyl ester
| Molecular Formula | C10H8ClNO2 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.02435 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 81038-36-0 |
|---|---|
| SMILES | COC(=O)N1C=CC2=C1C=CC=C2Cl |
| InChIKey | RBQCXXSEZUQRPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indole-1-carboxylic acid, 4-chloro-, methyl ester (CAS 81038-36-0), with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol. IUPAC: methyl 4-chloroindole-1-carboxylate.
Chemical Property Profile of Indole-1-carboxylic acid, 4-chloro-, methyl ester
Property Insights of Indole-1-carboxylic acid, 4-chloro-, methyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-1-carboxylic acid, 4-chloro-, methyl ester. With a topological polar surface area (TPSA) of 31.2 Ų, Indole-1-carboxylic acid, 4-chloro-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-1-carboxylic acid, 4-chloro-, methyl ester has 0 hydrogen bond donor(s) and 2 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 Indole-1-carboxylic acid, 4-chloro-, methyl ester?
The CAS number of Indole-1-carboxylic acid, 4-chloro-, methyl ester is 81038-36-0.
What is the molecular formula of Indole-1-carboxylic acid, 4-chloro-, methyl ester?
The molecular formula of Indole-1-carboxylic acid, 4-chloro-, methyl ester is C10H8ClNO2.
What is the molecular weight of Indole-1-carboxylic acid, 4-chloro-, methyl ester?
The molecular weight of Indole-1-carboxylic acid, 4-chloro-, methyl ester is 209.02 g/mol.
Where can I buy Indole-1-carboxylic acid, 4-chloro-, methyl ester?
You can request a quote for Indole-1-carboxylic acid, 4-chloro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-1-carboxylic acid, 4-chloro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Indole-1-carboxylic acid, 4-chloro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.