Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate
TL;DR: Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate (CAS 24393-41-7) 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 (E)-2-cyano-3-(2-methylphenyl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate, Ethyl (E)-alpha-cyano-2-methylcinnamate, Ethyl alpha-cyano-2-methyl-trans-cinnamate, J1.093.749C, J1.412.517E
| 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 | 455.24554 |
Chemical Identifiers
| CAS Number | 24393-41-7 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=CC=C1C)/C#N |
Product Overview
Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate (CAS 24393-41-7), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: ethyl (E)-2-cyano-3-(2-methylphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate
Property Insights of Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate
The XLogP value of 2.4651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate 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 2-cyano-3-(2-methylphenyl)prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate is 24393-41-7.
What is the molecular formula of Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate is C13H13NO2.
What is the molecular weight of Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate is 215.09 g/mol.
Where can I buy Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-(2-methylphenyl)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-(2-methylphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.