2-Benzoylbenzoic Acid
TL;DR: 2-Benzoylbenzoic Acid (CAS 85-52-9) is a chemical compound with molecular formula C14H10O3 and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoylbenzoic acid
Also Known As: 2-BENZOYLBENZOIC ACID, o-Benzoylbenzoic acid, Benzoic acid, 2-benzoyl-, 2-Carboxybenzophenone, o-Carboxybenzophenone
| Molecular Formula | C14H10O3 |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.06299 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
| Melting Point | 127-129 °C |
| Solubility | VERY SOL IN ALCOHOL & ETHER; SOL IN HOT BENZENE |
Chemical Identifiers
| CAS Number | 85-52-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | FGTYTUFKXYPTML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoylbenzoic Acid (CAS 85-52-9), with molecular formula C14H10O3 and molecular weight 226.06 g/mol. IUPAC: 2-benzoylbenzoic acid.
Chemical Property Profile of 2-Benzoylbenzoic Acid
Property Insights of 2-Benzoylbenzoic Acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoylbenzoic Acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Benzoylbenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoylbenzoic 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 2-Benzoylbenzoic Acid?
The CAS number of 2-Benzoylbenzoic Acid is 85-52-9.
What is the molecular formula of 2-Benzoylbenzoic Acid?
The molecular formula of 2-Benzoylbenzoic Acid is C14H10O3.
What is the molecular weight of 2-Benzoylbenzoic Acid?
The molecular weight of 2-Benzoylbenzoic Acid is 226.06 g/mol.
Where can I buy 2-Benzoylbenzoic Acid?
You can request a quote for 2-Benzoylbenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoylbenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoylbenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.