alpha-Methylhydrocinnamic acid
TL;DR: alpha-Methylhydrocinnamic acid (CAS 1009-67-2) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-phenylpropanoic acid
Also Known As: 2-Methyl-3-phenylpropanoic acid, 2-Benzylpropionic acid, alpha-Methylhydrocinnamic acid, 2-Benzylpropanoic acid, 2-Phenylbutyric acid
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 1009-67-2 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)C(=O)O |
| InChIKey | MCIIDRLDHRQKPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Methylhydrocinnamic acid (CAS 1009-67-2), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 2-methyl-3-phenylpropanoic acid.
Chemical Property Profile of alpha-Methylhydrocinnamic acid
Property Insights of alpha-Methylhydrocinnamic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Methylhydrocinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, alpha-Methylhydrocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methylhydrocinnamic acid 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 alpha-Methylhydrocinnamic acid?
The CAS number of alpha-Methylhydrocinnamic acid is 1009-67-2.
What is the molecular formula of alpha-Methylhydrocinnamic acid?
The molecular formula of alpha-Methylhydrocinnamic acid is C10H12O2.
What is the molecular weight of alpha-Methylhydrocinnamic acid?
The molecular weight of alpha-Methylhydrocinnamic acid is 164.08 g/mol.
Where can I buy alpha-Methylhydrocinnamic acid?
You can request a quote for alpha-Methylhydrocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methylhydrocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methylhydrocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.