2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester
TL;DR: 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester (CAS 6468-75-3) is a chemical compound with molecular formula C14H12O5 and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetyl-2-oxochromene-6-carboxylate
Also Known As: 3-Acetyl-6-carbethoxycoumarin, 3-Acetyl-6-carboethoxy-cumarin, ethyl 3-acetyl-2-oxo-2H-chromene-6-carboxylate, ethyl 3-acetyl-2-oxochromene-6-carboxylate, 5-18-08-00582 (Beilstein Handbook Reference)
| Molecular Formula | C14H12O5 |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.06848 |
| Heavy Atoms | 19 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 6468-75-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)C |
| InChIKey | NVDXCXJKXHRCEJ-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester (CAS 6468-75-3), with molecular formula C14H12O5 and molecular weight 260.07 g/mol. IUPAC: ethyl 3-acetyl-2-oxochromene-6-carboxylate.
Chemical Property Profile of 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester
Property Insights of 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester. Following Lipinski's Rule of Five, 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester has 0 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 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester?
The CAS number of 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester is 6468-75-3.
What is the molecular formula of 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester?
The molecular formula of 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester is C14H12O5.
What is the molecular weight of 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester?
The molecular weight of 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester is 260.07 g/mol.
Where can I buy 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester?
You can request a quote for 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-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, 3-acetyl-2-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.