1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid
TL;DR: 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid (CAS 68204-74-0) 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.
1-oxo-3-phenyl-3,4-dihydroisochromene-4-carboxylic acid
Also Known As: 1-Oxo-3-phenylisochroman-4-carboxylic acid, 1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-4-carboxylic acid, oxophenyldihydroisochromenecarboxylicacid, 8054AE, 1-oxo-3-phenyl-3,4-dihydroisochromene-4-carboxylic acid
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.7665 |
| 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 | 663.1869 |
Chemical Identifiers
| CAS Number | 68204-74-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)O2)C(=O)O |
Product Overview
1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid (CAS 68204-74-0), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 1-oxo-3-phenyl-3,4-dihydroisochromene-4-carboxylic acid.
Chemical Property Profile of 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid
Property Insights of 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid
The XLogP value of 2.7665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid. Following Lipinski's Rule of Five, 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid 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 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid?
The CAS number of 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid is 68204-74-0.
What is the molecular formula of 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid?
The molecular formula of 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid is C16H12O4.
What is the molecular weight of 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid?
The molecular weight of 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid is 268.07 g/mol.
Where can I buy 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid?
You can request a quote for 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.