Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
TL;DR: Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate (CAS 13229-93-1) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate, 2-Propenoic acid, 2-cyano-3-(3-hydroxyphenyl)-, ethyl ester
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 13229-93-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=CC=C1)O)C#N |
| InChIKey | BXOFYZLSAUJUQJ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate (CAS 13229-93-1), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
Property Insights of Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate has 1 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 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate is 13229-93-1.
What is the molecular formula of Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate is C12H11NO3.
What is the molecular weight of Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate is 217.07 g/mol.
Where can I buy Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate 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-hydroxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.