2-亚苄基丁酸
TL;DR: 2-亚苄基丁酸 (CAS 26197-64-8) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-亚苄基丁酸
2-benzylidenebutanoic acid
Also Known As: 2-benzylidenebutanoic acid, benzal butyric acid, alpha-ethylcinnamic acid, alpha-ethyl cinnamic acid, 2-Aethyl-3c-phenyl-acrylsaeure
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 26197-64-8 |
|---|---|
| SMILES | CCC(=CC1=CC=CC=C1)C(=O)O |
| InChIKey | RUETZBUVTWCCIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-亚苄基丁酸 (CAS 26197-64-8), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 2-benzylidenebutanoic acid.
Chemical Property Profile of 2-亚苄基丁酸
Property Insights of 2-亚苄基丁酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-亚苄基丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-亚苄基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-亚苄基丁酸 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 2-亚苄基丁酸?
The CAS number of 2-亚苄基丁酸 is 26197-64-8.
What is the molecular formula of 2-亚苄基丁酸?
The molecular formula of 2-亚苄基丁酸 is C11H12O2.
What is the molecular weight of 2-亚苄基丁酸?
The molecular weight of 2-亚苄基丁酸 is 176.08 g/mol.
Where can I buy 2-亚苄基丁酸?
You can request a quote for 2-亚苄基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-亚苄基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-亚苄基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.