2-(2-氧代-2-苯乙基)苯甲酸
TL;DR: 2-(2-氧代-2-苯乙基)苯甲酸 (CAS 2881-31-4) is a chemical compound with molecular formula C15H12O3 and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-氧代-2-苯乙基)苯甲酸
2-phenacylbenzoic acid
Also Known As: o-Phenacylbenzoic acid, 2-phenacylbenzoic acid, 2-(2-OXO-2-PHENYLETHYL)BENZOIC ACID, alpha-Benzoyl-o-toluic acid, Benzoic acid, 2-(2-oxo-2-phenylethyl)-
| Molecular Formula | C15H12O3 |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.07864 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 2881-31-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2C(=O)O |
| InChIKey | MLCPCDOOBNXTFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-氧代-2-苯乙基)苯甲酸 (CAS 2881-31-4), with molecular formula C15H12O3 and molecular weight 240.08 g/mol. IUPAC: 2-phenacylbenzoic acid.
Chemical Property Profile of 2-(2-氧代-2-苯乙基)苯甲酸
Property Insights of 2-(2-氧代-2-苯乙基)苯甲酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-氧代-2-苯乙基)苯甲酸. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(2-氧代-2-苯乙基)苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-氧代-2-苯乙基)苯甲酸 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-(2-氧代-2-苯乙基)苯甲酸?
The CAS number of 2-(2-氧代-2-苯乙基)苯甲酸 is 2881-31-4.
What is the molecular formula of 2-(2-氧代-2-苯乙基)苯甲酸?
The molecular formula of 2-(2-氧代-2-苯乙基)苯甲酸 is C15H12O3.
What is the molecular weight of 2-(2-氧代-2-苯乙基)苯甲酸?
The molecular weight of 2-(2-氧代-2-苯乙基)苯甲酸 is 240.08 g/mol.
Where can I buy 2-(2-氧代-2-苯乙基)苯甲酸?
You can request a quote for 2-(2-氧代-2-苯乙基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-氧代-2-苯乙基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-氧代-2-苯乙基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.