1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester
TL;DR: 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester (CAS 540740-45-2) is a chemical compound with molecular formula C17H14ClNO4S and molecular weight 363.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(benzenesulfonyl)-6-chloroindole-3-carboxylate
Also Known As: 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester, ethyl 1-(benzenesulfonyl)-6-chloroindole-3-carboxylate, ethyl 1-(benzenesulfonyl)-6-chloro-indole-3-carboxylate, Ethyl 1-(benzenesulfonyl)-6-chloro-1H-indole-3-carboxylate, 1H-Indole-3-carboxylic acid,6-chloro-1-(phenylsulfonyl)-,ethyl ester
| Molecular Formula | C17H14ClNO4S |
|---|---|
| Molecular Weight | 363.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.0332 |
| Heavy Atoms | 24 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 540740-45-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C2=C1C=CC(=C2)Cl)S(=O)(=O)C3=CC=CC=C3 |
| InChIKey | YEYCNYWHDPWSBX-UHFFFAOYSA-N |
Product Overview
1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester (CAS 540740-45-2), with molecular formula C17H14ClNO4S and molecular weight 363.03 g/mol. IUPAC: ethyl 1-(benzenesulfonyl)-6-chloroindole-3-carboxylate.
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester
Property Insights of 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester
The XLogP value of 4.1 indicates that 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester has 0 hydrogen bond donor(s) and 4 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-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester?
The CAS number of 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester is 540740-45-2.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester?
The molecular formula of 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester is C17H14ClNO4S.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester?
The molecular weight of 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester is 363.03 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester?
You can request a quote for 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, 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-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxylic acid, 6-chloro-1-(phenylsulfonyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.