2-Methoxycinnamic acid methyl ester
TL;DR: 2-Methoxycinnamic acid methyl ester (CAS 84385-05-7) 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-(2-methoxyphenyl)prop-2-enoate
Also Known As: 2-methoxycinnamic acid methyl ester, methyl 3-(2-methoxyphenyl)acrylate, METHYL 3-(2-METHOXYPHENYL)PROP-2-ENOATE, methyl 3-[2'-methoxyphenyl]-2-propenate, Methyl (2E)-3-(2-methoxyphenyl)acrylate
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.1 |
| 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 | 211.0 |
Chemical Identifiers
| CAS Number | 84385-05-7 |
|---|---|
| SMILES | COC1=CC=CC=C1C=CC(=O)OC |
| InChIKey | FCMNDLLGEGVMQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxycinnamic acid methyl ester (CAS 84385-05-7), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: methyl 3-(2-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of 2-Methoxycinnamic acid methyl ester
Property Insights of 2-Methoxycinnamic acid methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxycinnamic acid methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Methoxycinnamic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxycinnamic acid 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 2-Methoxycinnamic acid methyl ester?
The CAS number of 2-Methoxycinnamic acid methyl ester is 84385-05-7.
What is the molecular formula of 2-Methoxycinnamic acid methyl ester?
The molecular formula of 2-Methoxycinnamic acid methyl ester is C11H12O3.
What is the molecular weight of 2-Methoxycinnamic acid methyl ester?
The molecular weight of 2-Methoxycinnamic acid methyl ester is 192.08 g/mol.
Where can I buy 2-Methoxycinnamic acid methyl ester?
You can request a quote for 2-Methoxycinnamic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxycinnamic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxycinnamic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.