Ethyl 3-methylcinnamate
TL;DR: Ethyl 3-methylcinnamate (CAS 62174-97-4) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-methylphenyl)prop-2-enoate
Also Known As: ethyl 3-methylcinnamate, Ethyl 3-methyl-cinnamate, ethyl 3-(3-methylphenyl)acrylate, 3-m-Tolyl-acrylic acid ethyl ester, ethyl 3-(3-methylphenyl)prop-2-enoate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 62174-97-4 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC=CC(=C1)C |
| InChIKey | QQRJPDCUZPIHFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-methylcinnamate (CAS 62174-97-4), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: ethyl 3-(3-methylphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-methylcinnamate
Property Insights of Ethyl 3-methylcinnamate
The XLogP value of 3.4 indicates that Ethyl 3-methylcinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-methylcinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methylcinnamate has 0 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 Ethyl 3-methylcinnamate?
The CAS number of Ethyl 3-methylcinnamate is 62174-97-4.
What is the molecular formula of Ethyl 3-methylcinnamate?
The molecular formula of Ethyl 3-methylcinnamate is C12H14O2.
What is the molecular weight of Ethyl 3-methylcinnamate?
The molecular weight of Ethyl 3-methylcinnamate is 190.10 g/mol.
Where can I buy Ethyl 3-methylcinnamate?
You can request a quote for Ethyl 3-methylcinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methylcinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methylcinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.