Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate
TL;DR: Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate (CAS 2017-88-1) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-2-cyano-3-(4-methylphenyl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(4-methylphenyl)prop-2-enoate, (z)-ethyl-2-cyano-3-(p-tolyl)acrylate, Ethyl (Z)-2-cyano-3-(p-tolyl)acrylate, Ethyl 2-cyano-3-(4-methylphenyl)acrylate, ethyl (2Z)-2-cyano-3-(4-methylphenyl)prop-2-enoate
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.4651 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 437.99554 |
Chemical Identifiers
| CAS Number | 2017-88-1 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC=C(C=C1)C)/C#N |
Product Overview
Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate (CAS 2017-88-1), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: ethyl (Z)-2-cyano-3-(4-methylphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate
Property Insights of Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate
The XLogP value of 2.4651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate has 0 hydrogen bond donor(s) and 3 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 (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate?
The CAS number of Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate is 2017-88-1.
What is the molecular formula of Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate?
The molecular formula of Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate is C13H13NO2.
What is the molecular weight of Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate?
The molecular weight of Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate is 215.09 g/mol.
Where can I buy Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate?
You can request a quote for Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2Z)-2-cyano-3-(4-methylphenyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.