Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate
TL;DR: Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate (CAS 24295-43-0) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Also Known As: BAS 00724797, ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate, ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)propenoate, ethyl (Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate, 2-Cyano-3-(3-hydroxy-4-methoxy-phenyl)-acrylic acid ethyl ester
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.87088 |
| Topological Polar Surface Area | 79.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 514.21277 |
Chemical Identifiers
| CAS Number | 24295-43-0 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC(=C(C=C1)OC)O)/C#N |
Product Overview
Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate (CAS 24295-43-0), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: ethyl (Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate
Property Insights of Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate
The XLogP value of 1.87088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate. The TPSA of 79.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate has 1 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 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate?
The CAS number of Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate is 24295-43-0.
What is the molecular formula of Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate?
The molecular formula of Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate is C13H13NO4.
What is the molecular weight of Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate?
The molecular weight of Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate is 247.08 g/mol.
Where can I buy Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate?
You can request a quote for Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.