2-苯乙基苯甲酸
TL;DR: 2-苯乙基苯甲酸 (CAS 4890-85-1) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯乙基苯甲酸
2-(2-phenylethyl)benzoic acid
Also Known As: 2-Bibenzylcarboxylic Acid, 2-(2-Phenylethyl)benzoic acid, o-Phenethylbenzoic acid, 2-phenethylbenzoic acid, 2-Bibenzylcarboxylicacid
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 4890-85-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)O |
| InChIKey | IOHPVZBSOKLVMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯乙基苯甲酸 (CAS 4890-85-1), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: 2-(2-phenylethyl)benzoic acid.
Chemical Property Profile of 2-苯乙基苯甲酸
Property Insights of 2-苯乙基苯甲酸
The XLogP value of 3.5 indicates that 邻苯乙基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-苯乙基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻苯乙基苯甲酸 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 邻苯乙基苯甲酸?
The CAS number of 邻苯乙基苯甲酸 is 4890-85-1.
What is the molecular formula of 邻苯乙基苯甲酸?
The molecular formula of 邻苯乙基苯甲酸 is C15H14O2.
What is the molecular weight of 邻苯乙基苯甲酸?
The molecular weight of 邻苯乙基苯甲酸 is 226.10 g/mol.
Where can I buy 邻苯乙基苯甲酸?
You can request a quote for 邻苯乙基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯乙基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 邻苯乙基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.