Methyl 3-(4-methylphenyl)-2-propenoate
TL;DR: Methyl 3-(4-methylphenyl)-2-propenoate (CAS 20754-20-5) 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.
methyl 3-(4-methylphenyl)prop-2-enoate
Also Known As: Methyl 3-(p-tolyl)acrylate, Ozagrel Impurity A, Ozagrel Impurity N2, methyl p-methylcinnamate, METHYL 4-METHYLCINNAMATE
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 20754-20-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=CC(=O)OC |
| InChIKey | WLJBRXRCJNSDHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(4-methylphenyl)-2-propenoate (CAS 20754-20-5), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: methyl 3-(4-methylphenyl)prop-2-enoate.
Chemical Property Profile of Methyl 3-(4-methylphenyl)-2-propenoate
Property Insights of Methyl 3-(4-methylphenyl)-2-propenoate
The XLogP value of 3.0 indicates that Methyl 3-(4-methylphenyl)-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(4-methylphenyl)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-methylphenyl)-2-propenoate 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 Methyl 3-(4-methylphenyl)-2-propenoate?
The CAS number of Methyl 3-(4-methylphenyl)-2-propenoate is 20754-20-5.
What is the molecular formula of Methyl 3-(4-methylphenyl)-2-propenoate?
The molecular formula of Methyl 3-(4-methylphenyl)-2-propenoate is C11H12O2.
What is the molecular weight of Methyl 3-(4-methylphenyl)-2-propenoate?
The molecular weight of Methyl 3-(4-methylphenyl)-2-propenoate is 176.08 g/mol.
Where can I buy Methyl 3-(4-methylphenyl)-2-propenoate?
You can request a quote for Methyl 3-(4-methylphenyl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-methylphenyl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-methylphenyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.