4-Methoxycinnamate methyl ester
TL;DR: 4-Methoxycinnamate methyl ester (CAS 832-01-9) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-methoxyphenyl)prop-2-enoate
Also Known As: Methyl 4-methoxycinnamate, Methyl p-methoxycinnamate, p-Methoxymethylcinnamate, 4-Methoxycinnamate methyl ester, methyl-p-methoxycinnamate
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 832-01-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=CC(=O)OC |
| InChIKey | VEZIKIAGFYZTCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxycinnamate methyl ester (CAS 832-01-9), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: methyl 3-(4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of 4-Methoxycinnamate methyl ester
Property Insights of 4-Methoxycinnamate methyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxycinnamate methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Methoxycinnamate methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxycinnamate methyl ester has 0 hydrogen bond donor(s) and 3 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-Methoxycinnamate methyl ester?
The CAS number of 4-Methoxycinnamate methyl ester is 832-01-9.
What is the molecular formula of 4-Methoxycinnamate methyl ester?
The molecular formula of 4-Methoxycinnamate methyl ester is C11H12O3.
What is the molecular weight of 4-Methoxycinnamate methyl ester?
The molecular weight of 4-Methoxycinnamate methyl ester is 192.08 g/mol.
Where can I buy 4-Methoxycinnamate methyl ester?
You can request a quote for 4-Methoxycinnamate methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxycinnamate methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxycinnamate methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.