1-(phenylsulfonyl)-1H-indole-3-carboxylic acid
TL;DR: 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid (CAS 278593-17-2) is a chemical compound with molecular formula C15H11NO4S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)indole-3-carboxylic acid
Also Known As: 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid, null, Thiocineole, 1-(benzenesulfonyl)indole-3-carboxylic acid, RARECHEM AL BE 1326
| Molecular Formula | C15H11NO4S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 84.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0409 |
| Heavy Atoms | 21 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 278593-17-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(=O)O |
| InChIKey | ISTBYLZYNVIQFS-UHFFFAOYSA-N |
Product Overview
1-(phenylsulfonyl)-1H-indole-3-carboxylic acid (CAS 278593-17-2), with molecular formula C15H11NO4S and molecular weight 301.04 g/mol. IUPAC: 1-(benzenesulfonyl)indole-3-carboxylic acid.
Chemical Property Profile of 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid
Property Insights of 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid has 1 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 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid?
The CAS number of 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid is 278593-17-2.
What is the molecular formula of 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid?
The molecular formula of 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid is C15H11NO4S.
What is the molecular weight of 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid?
The molecular weight of 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid is 301.04 g/mol.
Where can I buy 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid?
You can request a quote for 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(phenylsulfonyl)-1H-indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.