2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl-
TL;DR: 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl- (CAS 98769-89-2) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
Also Known As: 6-Carboxyflavanone, 6-carboxy-flavanone, 4-oxo-2-phenyl-chromane-6-carboxylic acid, 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl-, 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.0913 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 676.13116 |
Chemical Identifiers
| CAS Number | 98769-89-2 |
|---|---|
| SMILES | C1C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C3=CC=CC=C3 |
Product Overview
2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl- (CAS 98769-89-2), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid.
Chemical Property Profile of 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl-
Property Insights of 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl-
The XLogP value of 3.0913 indicates that 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl- has 1 hydrogen bond donor(s) and 3 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, 3,4-dihydro-4-oxo-2-phenyl-?
The CAS number of 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl- is 98769-89-2.
What is the molecular formula of 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl-?
The molecular formula of 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl- is C16H12O4.
What is the molecular weight of 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl-?
The molecular weight of 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl- is 268.07 g/mol.
Where can I buy 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl-?
You can request a quote for 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl- 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, 3,4-dihydro-4-oxo-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.