2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester (CAS 13229-95-3) 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-(3-ethoxy-4-hydroxyphenyl)prop-2-enoate
Also Known As: 7-Methoxy-2-oxo-2H-chromen-3-carbonitril, ethyl 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoate, 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.26098 |
| Topological Polar Surface Area | 79.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 528.7378 |
Chemical Identifiers
| CAS Number | 13229-95-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)O |
Product Overview
2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester (CAS 13229-95-3), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: ethyl 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester
The XLogP value of 2.26098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester. The TPSA of 79.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester 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 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester is 13229-95-3.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester is C14H15NO4.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester is 261.10 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.