2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester
TL;DR: 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester (CAS 53992-24-8) is a chemical compound with molecular formula C16H10O4 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-oxochromene-3-carboxylate
Also Known As: Phenyl coumarin-3-carboxylate, phenyl 2-oxochromene-3-carboxylate, IFLab1_003336, phenyl 2-oxo-2H-chromene-3-carboxylate, 3-Carboxylate-coumarin deriv., 1
| Molecular Formula | C16H10O4 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.05792 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 53992-24-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3OC2=O |
| InChIKey | OZSQFAOGBXJZMW-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester (CAS 53992-24-8), with molecular formula C16H10O4 and molecular weight 266.06 g/mol. IUPAC: phenyl 2-oxochromene-3-carboxylate.
Chemical Property Profile of 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester
Property Insights of 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester
The XLogP value of 3.5 indicates that 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl 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, 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl 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-3-carboxylic acid, 2-oxo-, phenyl ester?
The CAS number of 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester is 53992-24-8.
What is the molecular formula of 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester?
The molecular formula of 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester is C16H10O4.
What is the molecular weight of 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester?
The molecular weight of 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester is 266.06 g/mol.
Where can I buy 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester?
You can request a quote for 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl 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-3-carboxylic acid, 2-oxo-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.