Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate
TL;DR: Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate (CAS 107516-56-3) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate
Also Known As: NCIOpen2_005085, ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate, ETHYL BETA-CYANO-2,4-DIMETHYL-ALPHA-HYDROXYCINNAMATE
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 107516-56-3 |
|---|---|
| SMILES | CCOC(=O)C(=C(C#N)C1=C(C=C(C=C1)C)C)O |
| InChIKey | GNZJUAQMGJFYBK-UHFFFAOYSA-N |
Product Overview
Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate (CAS 107516-56-3), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate.
Chemical Property Profile of Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate
Property Insights of Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-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 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate?
The CAS number of Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate is 107516-56-3.
What is the molecular formula of Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate?
The molecular formula of Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate is C14H15NO3.
What is the molecular weight of Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate?
The molecular weight of Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate is 245.11 g/mol.
Where can I buy Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate?
You can request a quote for Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-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 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.