Ethyl alpha-cyano-2-methoxycinnamate
TL;DR: Ethyl alpha-cyano-2-methoxycinnamate (CAS 14533-89-2) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
Also Known As: Ethyl 2-cyano-3-(2-methoxyphenyl)acrylate, ETHYL ALPHA-CYANO-2-METHOXYCINNAMATE, ethyl (2E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate, J1.436.547H, alpha-Cyano-2-methoxycinnamic acid ethyl ester
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.16528 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 471.79807 |
Chemical Identifiers
| CAS Number | 14533-89-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=CC=C1OC)/C#N |
Product Overview
Ethyl alpha-cyano-2-methoxycinnamate (CAS 14533-89-2), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: ethyl (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl alpha-cyano-2-methoxycinnamate
Property Insights of Ethyl alpha-cyano-2-methoxycinnamate
The XLogP value of 2.16528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl alpha-cyano-2-methoxycinnamate. With a topological polar surface area (TPSA) of 59.32 Ų, Ethyl alpha-cyano-2-methoxycinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-cyano-2-methoxycinnamate 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 Ethyl alpha-cyano-2-methoxycinnamate?
The CAS number of Ethyl alpha-cyano-2-methoxycinnamate is 14533-89-2.
What is the molecular formula of Ethyl alpha-cyano-2-methoxycinnamate?
The molecular formula of Ethyl alpha-cyano-2-methoxycinnamate is C13H13NO3.
What is the molecular weight of Ethyl alpha-cyano-2-methoxycinnamate?
The molecular weight of Ethyl alpha-cyano-2-methoxycinnamate is 231.09 g/mol.
Where can I buy Ethyl alpha-cyano-2-methoxycinnamate?
You can request a quote for Ethyl alpha-cyano-2-methoxycinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl alpha-cyano-2-methoxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-cyano-2-methoxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.