4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester
TL;DR: 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester (CAS 5463-80-9) is a chemical compound with molecular formula C13H11BrO4 and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-bromo-6-methyl-4-oxochromene-2-carboxylate
Also Known As: ethyl 8-bromo-6-methyl-4-oxochromene-2-carboxylate, 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester, ethyl 8-bromo-6-methyl-4-oxo-4h-chromene-2-carboxylate, ETHYL 8-BROMO-6-METHYL-4-OXO-CHROMENE-2-CARBOXYLATE, 5-18-08-00339 (Beilstein Handbook Reference)
| Molecular Formula | C13H11BrO4 |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.98407 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 5463-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C(=CC(=C2)C)Br |
| InChIKey | QMWCBNYGYPWUEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester (CAS 5463-80-9), with molecular formula C13H11BrO4 and molecular weight 309.98 g/mol. IUPAC: ethyl 8-bromo-6-methyl-4-oxochromene-2-carboxylate.
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester
Property Insights of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester
The XLogP value of 3.0 indicates that 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, 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, 8-bromo-6-methyl-4-oxo-, ethyl ester?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester is 5463-80-9.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester is C13H11BrO4.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester is 309.98 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-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-6-methyl-4-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.