alpha-Methylcinnamic acid
TL;DR: alpha-Methylcinnamic acid (CAS 1895-97-2) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-methyl-3-phenylprop-2-enoic acid
Also Known As: ALPHA-METHYLCINNAMIC ACID, 2-methyl-3-phenylacrylic acid, a-Methylcinnamic acid, A-Methylcinnamic acid, (E)-2-methyl-3-phenylacrylic acid
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 1895-97-2 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C(=O)O |
| InChIKey | XNCRUNXWPDJHGV-BQYQJAHWSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Methylcinnamic acid (CAS 1895-97-2), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: (E)-2-methyl-3-phenylprop-2-enoic acid.
Chemical Property Profile of alpha-Methylcinnamic acid
Property Insights of alpha-Methylcinnamic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Methylcinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, alpha-Methylcinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methylcinnamic 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-Methylcinnamic acid?
The CAS number of alpha-Methylcinnamic acid is 1895-97-2.
What is the molecular formula of alpha-Methylcinnamic acid?
The molecular formula of alpha-Methylcinnamic acid is C10H10O2.
What is the molecular weight of alpha-Methylcinnamic acid?
The molecular weight of alpha-Methylcinnamic acid is 162.07 g/mol.
Where can I buy alpha-Methylcinnamic acid?
You can request a quote for alpha-Methylcinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methylcinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methylcinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.