4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester
TL;DR: 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester (CAS 30113-86-1) is a chemical compound with molecular formula C12H9BrO5 and molecular weight 311.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-bromo-7-hydroxy-4-oxochromene-2-carboxylate
Also Known As: 4h-1-benzopyran-2-carboxylic acid,8-bromo-7-hydroxy-4-oxo-,ethyl ester, Ethyl 8-bromo-7-hydroxy-4-oxo-4H-chromene-2-carboxylate, ethyl 8-bromo-7-hydroxy-4-oxochromene-2-carboxylate, Ethyl 8-bromo-7-hydroxy-4-oxo-4H-chromene-2-carboxylate #, 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester
| Molecular Formula | C12H9BrO5 |
|---|---|
| Molecular Weight | 311.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.96335 |
| Heavy Atoms | 18 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 30113-86-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C(=C(C=C2)O)Br |
| InChIKey | AAGZBHWLTJYFFW-UHFFFAOYSA-N |
Product Overview
4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester (CAS 30113-86-1), with molecular formula C12H9BrO5 and molecular weight 311.96 g/mol. IUPAC: ethyl 8-bromo-7-hydroxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester
Property Insights of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-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, 8-bromo-7-hydroxy-4-oxo-, ethyl ester. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-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, 8-bromo-7-hydroxy-4-oxo-, ethyl ester?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester is 30113-86-1.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester is C12H9BrO5.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester is 311.96 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-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, 8-bromo-7-hydroxy-4-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.