2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester
TL;DR: 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester (CAS 773139-18-7) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxochromene-6-carboxylate
Also Known As: Ethyl coumarin-6-carboxylate, NIOSH/DJ2501100, ethyl 2-oxochromene-6-carboxylate, ethyl 2-oxo-2H-chromene-6-carboxylate, Ethyl 2-oxo-2H-1-benzopyran-6-carboxylate
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.9697 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 582.8336 |
Chemical Identifiers
| CAS Number | 773139-18-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)OC(=O)C=C2 |
Product Overview
2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester (CAS 773139-18-7), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: ethyl 2-oxochromene-6-carboxylate.
Chemical Property Profile of 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester
Property Insights of 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester
The XLogP value of 1.9697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 56.51 Ų, 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-6-carboxylic acid, 2-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 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester?
The CAS number of 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester is 773139-18-7.
What is the molecular formula of 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester?
The molecular formula of 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester is C12H10O4.
What is the molecular weight of 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester?
The molecular weight of 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester is 218.06 g/mol.
Where can I buy 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester?
You can request a quote for 2H-1-Benzopyran-6-carboxylic acid, 2-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 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.