Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)-
TL;DR: Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)- (CAS 792-23-4) 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.
2-(1-oxoisochromen-3-yl)benzoic acid
Also Known As: 2-(1-Oxo-1H-isochromen-3-yl)benzoic acid, 3-(2-carboxyphenyl)isocoumarin, 2-(1-oxoisochromen-3-yl)benzoic Acid, Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)-, 2-(1-Oxo-1H-2-benzopyran-3-yl)benzoic acid
| Molecular Formula | C16H10O4 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.05792 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 792-23-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(OC2=O)C3=CC=CC=C3C(=O)O |
| InChIKey | XVWRERRMNCYVHV-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)- (CAS 792-23-4), with molecular formula C16H10O4 and molecular weight 266.06 g/mol. IUPAC: 2-(1-oxoisochromen-3-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)-
Property Insights of Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)-
The XLogP value of 3.1 indicates that Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)- 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 Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)-. Following Lipinski's Rule of Five, Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)- has 1 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 Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)-?
The CAS number of Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)- is 792-23-4.
What is the molecular formula of Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)-?
The molecular formula of Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)- is C16H10O4.
What is the molecular weight of Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)-?
The molecular weight of Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)- is 266.06 g/mol.
Where can I buy Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)-?
You can request a quote for Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(1-oxo-1H-2-benzopyran-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.