Methyl 3,4-dimethoxycinnamate
TL;DR: Methyl 3,4-dimethoxycinnamate (CAS 5396-64-5) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
Also Known As: Methyl 3,4-dimethoxycinnamate, methyl 3-(3,4-dimethoxyphenyl)prop-2-enoate, methyl-3,4-dimethoxycinnamate, 3,4-dimethoxycinnamic acid methyl ester, Methyl 3-(3,4-dimethoxyphenyl)acrylate
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 5396-64-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CC(=O)OC)OC |
| InChIKey | JXRYDOZRPYFBKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,4-dimethoxycinnamate (CAS 5396-64-5), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: methyl 3-(3,4-dimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of Methyl 3,4-dimethoxycinnamate
Property Insights of Methyl 3,4-dimethoxycinnamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dimethoxycinnamate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 3,4-dimethoxycinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4-dimethoxycinnamate has 0 hydrogen bond donor(s) and 4 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-dimethoxycinnamate?
The CAS number of Methyl 3,4-dimethoxycinnamate is 5396-64-5.
What is the molecular formula of Methyl 3,4-dimethoxycinnamate?
The molecular formula of Methyl 3,4-dimethoxycinnamate is C12H14O4.
What is the molecular weight of Methyl 3,4-dimethoxycinnamate?
The molecular weight of Methyl 3,4-dimethoxycinnamate is 222.09 g/mol.
Where can I buy Methyl 3,4-dimethoxycinnamate?
You can request a quote for Methyl 3,4-dimethoxycinnamate 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-dimethoxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4-dimethoxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.