Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate
TL;DR: Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate (CAS 2169-69-9) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-2-cyano-3-phenylprop-2-enoate
Also Known As: Ethyl 2-cyanocinnamate, ethyl z-cyano-cinnamate, Ethyl 2-Cyano-3-phenylacrylate, Ethyl benzylidenecyanoacetate, Ethyl alpha-cyanocinnamate
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.15668 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 401.38034 |
Chemical Identifiers
| CAS Number | 2169-69-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC=CC=C1)/C#N |
Product Overview
Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate (CAS 2169-69-9), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: ethyl (Z)-2-cyano-3-phenylprop-2-enoate.
Chemical Property Profile of Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate
Property Insights of Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate
The XLogP value of 2.15668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2Z)-2-cyano-3-phenyl-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-phenyl-2-propenoate?
The CAS number of Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate is 2169-69-9.
What is the molecular formula of Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate?
The molecular formula of Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate is C12H11NO2.
What is the molecular weight of Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate?
The molecular weight of Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate is 201.08 g/mol.
Where can I buy Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate?
You can request a quote for Ethyl (2Z)-2-cyano-3-phenyl-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-phenyl-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2Z)-2-cyano-3-phenyl-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.