6-Carboxyl-4-phenyl-3,4-dihydrocoumarin
TL;DR: 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin (CAS 356782-33-7) 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.
2-oxo-4-phenyl-3,4-dihydrochromene-6-carboxylic acid
Also Known As: 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin, 2-Oxo-4-phenylchroman-6-carboxylic acid, 2-oxo-4-phenyl-3,4-dihydrochromene-6-carboxylic acid, 2-oxo-4-phenyl-chroman-6-carboxylic Acid, 2-oxo-4-phenyl-chromane-6-carboxylic acid
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.8258 |
| 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 | 356782-33-7 |
|---|---|
| SMILES | C1C(C2=C(C=CC(=C2)C(=O)O)OC1=O)C3=CC=CC=C3 |
Product Overview
6-Carboxyl-4-phenyl-3,4-dihydrocoumarin (CAS 356782-33-7), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 2-oxo-4-phenyl-3,4-dihydrochromene-6-carboxylic acid.
Chemical Property Profile of 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin
Property Insights of 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin
The XLogP value of 2.8258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin. Following Lipinski's Rule of Five, 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin 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 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin?
The CAS number of 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin is 356782-33-7.
What is the molecular formula of 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin?
The molecular formula of 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin is C16H12O4.
What is the molecular weight of 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin?
The molecular weight of 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin is 268.07 g/mol.
Where can I buy 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin?
You can request a quote for 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Carboxyl-4-phenyl-3,4-dihydrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.