Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate
TL;DR: Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate (CAS 5347-01-3) 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-(2,5-dimethylphenyl)-2-hydroxyprop-2-enoate
Also Known As: ETHYL BETA-CYANO-2,5-DIMETHYL-ALPHA-HYDROXYCINNAMATE, ethyl 3-cyano-3-(2,5-dimethylphenyl)-2-hydroxyprop-2-enoate, 653-662-3, RefChem:596135
| 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 | 5347-01-3 |
|---|---|
| SMILES | CCOC(=O)C(=C(C#N)C1=C(C=CC(=C1)C)C)O |
| InChIKey | JORNSLGVKDYAAB-UHFFFAOYSA-N |
Product Overview
Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate (CAS 5347-01-3), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: ethyl 3-cyano-3-(2,5-dimethylphenyl)-2-hydroxyprop-2-enoate.
Chemical Property Profile of Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate
Property Insights of Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate. Following Lipinski's Rule of Five, Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate 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 beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate?
The CAS number of Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate is 5347-01-3.
What is the molecular formula of Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate?
The molecular formula of Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate is C14H15NO3.
What is the molecular weight of Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate?
The molecular weight of Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate is 245.11 g/mol.
Where can I buy Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate?
You can request a quote for Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl beta-cyano-2,5-dimethyl-alpha-hydroxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.