4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester
TL;DR: 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester (CAS 5410-63-9) is a chemical compound with molecular formula C12H10O3S and molecular weight 234.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-sulfanylidenechromene-2-carboxylate
Also Known As: ethyl 4-sulfanylidenechromene-2-carboxylate, ethyl 4-thioxo-4h-chromene-2-carboxylate, 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester, Ethyl 4-thioxo-4H-1-benzopyran-2-carboxylate, 4-18-00-05567 (Beilstein Handbook Reference)
| Molecular Formula | C12H10O3S |
|---|---|
| Molecular Weight | 234.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.03506 |
| Heavy Atoms | 16 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 5410-63-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=S)C2=CC=CC=C2O1 |
| InChIKey | DXWBCHFGULQNLY-UHFFFAOYSA-N |
Product Overview
4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester (CAS 5410-63-9), with molecular formula C12H10O3S and molecular weight 234.04 g/mol. IUPAC: ethyl 4-sulfanylidenechromene-2-carboxylate.
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester
Property Insights of 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, 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 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester is 5410-63-9.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester is C12H10O3S.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester is 234.04 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.