4-oxo-4H-thiochromene-2-carboxylic acid
TL;DR: 4-oxo-4H-thiochromene-2-carboxylic acid (CAS 16723-71-0) is a chemical compound with molecular formula C10H6O3S and molecular weight 206.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxothiochromene-2-carboxylic acid
Also Known As: 4-oxo-4H-thiochromene-2-carboxylic acid, 4-oxothiochromene-2-carboxylic acid, 4-oxobenzo[b]thiin-2-carboxylic acid, AO-800/41069762
| Molecular Formula | C10H6O3S |
|---|---|
| Molecular Weight | 206.00 g/mol |
| LogP | 1.9597 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.00377 |
| Heavy Atoms | 14 |
| Complexity | 556.54083 |
Chemical Identifiers
| CAS Number | 16723-71-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(S2)C(=O)O |
Product Overview
4-oxo-4H-thiochromene-2-carboxylic acid (CAS 16723-71-0), with molecular formula C10H6O3S and molecular weight 206.00 g/mol. IUPAC: 4-oxothiochromene-2-carboxylic acid.
Chemical Property Profile of 4-oxo-4H-thiochromene-2-carboxylic acid
Property Insights of 4-oxo-4H-thiochromene-2-carboxylic acid
The XLogP value of 1.9597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-4H-thiochromene-2-carboxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-oxo-4H-thiochromene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-oxo-4H-thiochromene-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 4-oxo-4H-thiochromene-2-carboxylic acid?
The CAS number of 4-oxo-4H-thiochromene-2-carboxylic acid is 16723-71-0.
What is the molecular formula of 4-oxo-4H-thiochromene-2-carboxylic acid?
The molecular formula of 4-oxo-4H-thiochromene-2-carboxylic acid is C10H6O3S.
What is the molecular weight of 4-oxo-4H-thiochromene-2-carboxylic acid?
The molecular weight of 4-oxo-4H-thiochromene-2-carboxylic acid is 206.00 g/mol.
Where can I buy 4-oxo-4H-thiochromene-2-carboxylic acid?
You can request a quote for 4-oxo-4H-thiochromene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-4H-thiochromene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-4H-thiochromene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.