4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester
TL;DR: 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester (CAS 28466-95-7) is a chemical compound with molecular formula C12H10O5 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-hydroxy-4-oxochromene-2-carboxylate
Also Known As: 6-hydroxy-2-ethoxycarbonylchromone, ethyl 6-hydroxy-4-oxochromene-2-carboxylate, 6-hydroxy-2-ethoxycarbonyl-chromone, ethyl 6-hydroxychromone-2-carboxylate, 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester
| Molecular Formula | C12H10O5 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.05283 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 28466-95-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)O |
| InChIKey | AVODXMKVEDDBBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester (CAS 28466-95-7), with molecular formula C12H10O5 and molecular weight 234.05 g/mol. IUPAC: ethyl 6-hydroxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester
Property Insights of 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester 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 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester is 28466-95-7.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester is C12H10O5.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester is 234.05 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, 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, 6-hydroxy-4-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid, 6-hydroxy-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.