α-苄基苯丙酸
TL;DR: α-苄基苯丙酸 (CAS 618-68-8) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-苄基苯丙酸
2-benzyl-3-phenylpropanoic acid
Also Known As: 2-Benzyl-3-phenylpropanoic acid, Dibenzylacetic acid, di-benzylacetic acid, dibenzyl acetic acid, A-BENZYLHYDROCINNAMIC ACID
| Molecular Formula | C16H16O2 |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.11504 |
| Heavy Atoms | 18 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 618-68-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)O |
| InChIKey | RBLAOGBEJPHFHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-苄基苯丙酸 (CAS 618-68-8), with molecular formula C16H16O2 and molecular weight 240.12 g/mol. IUPAC: 2-benzyl-3-phenylpropanoic acid.
Chemical Property Profile of α-苄基苯丙酸
Property Insights of α-苄基苯丙酸
The XLogP value of 3.7 indicates that α-苄基苯丙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, α-苄基苯丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-苄基苯丙酸 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 α-苄基苯丙酸?
The CAS number of α-苄基苯丙酸 is 618-68-8.
What is the molecular formula of α-苄基苯丙酸?
The molecular formula of α-苄基苯丙酸 is C16H16O2.
What is the molecular weight of α-苄基苯丙酸?
The molecular weight of α-苄基苯丙酸 is 240.12 g/mol.
Where can I buy α-苄基苯丙酸?
You can request a quote for α-苄基苯丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-苄基苯丙酸?
Yes, KEHONG BIO provides custom synthesis services for α-苄基苯丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.