1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester
TL;DR: 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester (CAS 16382-20-0) is a chemical compound with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-3-methyl-1H-indole-2-carboxylate
Also Known As: ethyl 5-chloro-3-methyl-1H-indole-2-carboxylate, 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester, 5-chloro-3-methyl-1H-indole-2-carboxylic acid ethyl ester, ethyl 3-methyl-5-chloroindole-2-carboxylate, ethyl 5-chloro-3-methylindole-2-carboxylate
| Molecular Formula | C12H12ClNO2 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 3.30642 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.05565 |
| Heavy Atoms | 16 |
| Complexity | 545.1875 |
Chemical Identifiers
| CAS Number | 16382-20-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)C |
Product Overview
1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester (CAS 16382-20-0), with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol. IUPAC: ethyl 5-chloro-3-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester
Property Insights of 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester
The XLogP value of 3.30642 indicates that 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester 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
Frequently Asked Questions
What is the CAS number of 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester?
The CAS number of 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester is 16382-20-0.
What is the molecular formula of 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester?
The molecular formula of 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester is C12H12ClNO2.
What is the molecular weight of 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester?
The molecular weight of 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester is 237.06 g/mol.
Where can I buy 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester?
You can request a quote for 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.