Ethyl alpha-cyano-2,3-dimethoxycinnamate
TL;DR: Ethyl alpha-cyano-2,3-dimethoxycinnamate (CAS 58531-09-2) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enoate
Also Known As: ETHYL ALPHA-CYANO-2,3-DIMETHOXYCINNAMATE, alpha-cyano-2,3-dimethoxycinnamic ethyl ester, ethyl 2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enoate, 652-105-1, RefChem:596097
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.17388 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 528.7378 |
Chemical Identifiers
| CAS Number | 58531-09-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=C(C(=CC=C1)OC)OC)C#N |
Product Overview
Ethyl alpha-cyano-2,3-dimethoxycinnamate (CAS 58531-09-2), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: ethyl 2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl alpha-cyano-2,3-dimethoxycinnamate
Property Insights of Ethyl alpha-cyano-2,3-dimethoxycinnamate
The XLogP value of 2.17388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl alpha-cyano-2,3-dimethoxycinnamate. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl alpha-cyano-2,3-dimethoxycinnamate. Following Lipinski's Rule of Five, Ethyl alpha-cyano-2,3-dimethoxycinnamate has 0 hydrogen bond donor(s) and 5 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-2,3-dimethoxycinnamate?
The CAS number of Ethyl alpha-cyano-2,3-dimethoxycinnamate is 58531-09-2.
What is the molecular formula of Ethyl alpha-cyano-2,3-dimethoxycinnamate?
The molecular formula of Ethyl alpha-cyano-2,3-dimethoxycinnamate is C14H15NO4.
What is the molecular weight of Ethyl alpha-cyano-2,3-dimethoxycinnamate?
The molecular weight of Ethyl alpha-cyano-2,3-dimethoxycinnamate is 261.10 g/mol.
Where can I buy Ethyl alpha-cyano-2,3-dimethoxycinnamate?
You can request a quote for Ethyl alpha-cyano-2,3-dimethoxycinnamate 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-2,3-dimethoxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-cyano-2,3-dimethoxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.