4-Methylcinnamic Acid
TL;DR: 4-Methylcinnamic Acid (CAS 939-57-1) 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)-3-(4-methylphenyl)prop-2-enoic acid
Also Known As: 4-Methylcinnamic acid, 3-(p-Tolyl)acrylic acid, (E)-3-(p-Tolyl)acrylic acid, p-Methylcinnamic acid, (2e)-3-(4-methylphenyl)acrylic acid
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.5 |
| 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 | 176.0 |
Chemical Identifiers
| CAS Number | 939-57-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)O |
| InChIKey | RURHILYUWQEGOS-VOTSOKGWSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylcinnamic Acid (CAS 939-57-1), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: (E)-3-(4-methylphenyl)prop-2-enoic acid.
Chemical Property Profile of 4-Methylcinnamic Acid
Property Insights of 4-Methylcinnamic Acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcinnamic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Methylcinnamic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Methylcinnamic Acid?
The CAS number of 4-Methylcinnamic Acid is 939-57-1.
What is the molecular formula of 4-Methylcinnamic Acid?
The molecular formula of 4-Methylcinnamic Acid is C10H10O2.
What is the molecular weight of 4-Methylcinnamic Acid?
The molecular weight of 4-Methylcinnamic Acid is 162.07 g/mol.
Where can I buy 4-Methylcinnamic Acid?
You can request a quote for 4-Methylcinnamic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylcinnamic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcinnamic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.