邻苄基苯甲酸
TL;DR: 邻苄基苯甲酸 (CAS 612-35-1) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苄基苯甲酸
2-benzylbenzoic acid
Also Known As: 2-Benzylbenzoic acid, o-Benzylbenzoic acid, alpha-Phenyl-o-toluic acid, benzyl-benzoic acid, Benzyl benzoic acid
| Molecular Formula | C14H12O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.08372 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 612-35-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O |
| InChIKey | FESDHLLVLYZNFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苄基苯甲酸 (CAS 612-35-1), with molecular formula C14H12O2 and molecular weight 212.08 g/mol. IUPAC: 2-benzylbenzoic acid.
Chemical Property Profile of 邻苄基苯甲酸
Property Insights of 邻苄基苯甲酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻苄基苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 邻苄基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻苄基苯甲酸 has 1 hydrogen bond donor(s) and 2 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 邻苄基苯甲酸?
The CAS number of 邻苄基苯甲酸 is 612-35-1.
What is the molecular formula of 邻苄基苯甲酸?
The molecular formula of 邻苄基苯甲酸 is C14H12O2.
What is the molecular weight of 邻苄基苯甲酸?
The molecular weight of 邻苄基苯甲酸 is 212.08 g/mol.
Where can I buy 邻苄基苯甲酸?
You can request a quote for 邻苄基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苄基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 邻苄基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.