3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid
TL;DR: 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid (CAS 895651-88-4) is a chemical compound with molecular formula C16H10O6S and molecular weight 330.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-2-oxochromene-6-carboxylic acid
Also Known As: 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid, 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylic acid, 3-(benzenesulfonyl)-2-oxochromene-6-carboxylic acid, 3-(benzenesulfonyl)-2-oxo-chromene-6-carboxylic Acid, 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylicacid
| Molecular Formula | C16H10O6S |
|---|---|
| Molecular Weight | 330.02 g/mol |
| LogP | 2.324 |
| Topological Polar Surface Area | 101.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.0198 |
| Heavy Atoms | 23 |
| Complexity | 1064.6708 |
Chemical Identifiers
| CAS Number | 895651-88-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)C(=O)O)OC2=O |
Product Overview
3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid (CAS 895651-88-4), with molecular formula C16H10O6S and molecular weight 330.02 g/mol. IUPAC: 3-(benzenesulfonyl)-2-oxochromene-6-carboxylic acid.
Chemical Property Profile of 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid
Property Insights of 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid
The XLogP value of 2.324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid. The TPSA of 101.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid. Following Lipinski's Rule of Five, 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid?
The CAS number of 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid is 895651-88-4.
What is the molecular formula of 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid?
The molecular formula of 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid is C16H10O6S.
What is the molecular weight of 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid?
The molecular weight of 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid is 330.02 g/mol.
Where can I buy 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid?
You can request a quote for 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.