4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester
TL;DR: 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester (CAS 5464-37-9) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,7-dimethyl-4-oxochromene-2-carboxylate
Also Known As: Ethyl 5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxylate, 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester, 5-18-08-00350 (Beilstein Handbook Reference), ethyl 5,7-dimethyl-4-oxo-4h-chromene-2-carboxylate, ethyl 5,7-dimethyl-4-oxochromene-2-carboxylate
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 5464-37-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(C=C(C=C2O1)C)C |
| InChIKey | INPGFWWEYHBRGS-UHFFFAOYSA-N |
Product Overview
4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester (CAS 5464-37-9), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: ethyl 5,7-dimethyl-4-oxochromene-2-carboxylate.
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester
Property Insights of 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-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, 5,7-dimethyl-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, 5,7-dimethyl-4-oxo-, ethyl ester?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester is 5464-37-9.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester is C14H14O4.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester is 246.09 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-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, 5,7-dimethyl-4-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.