Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate
TL;DR: Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate (CAS 2286-35-3) is a chemical compound with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate
Also Known As: Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate, ethylchlorophenylcyanoacrylate, Ethyl 3-(4-chlorophenyl)-2-cyanoacrylate, 6629AJ, ethyl (2Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate
| Molecular Formula | C12H10ClNO2 |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 2.81008 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.04001 |
| Heavy Atoms | 16 |
| Complexity | 443.08173 |
Chemical Identifiers
| CAS Number | 2286-35-3 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC=C(C=C1)Cl)/C#N |
Product Overview
Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate (CAS 2286-35-3), with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol. IUPAC: ethyl (Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate
Property Insights of Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate
The XLogP value of 2.81008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate 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 (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate?
The CAS number of Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate is 2286-35-3.
What is the molecular formula of Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate?
The molecular formula of Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate is C12H10ClNO2.
What is the molecular weight of Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate?
The molecular weight of Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate is 235.04 g/mol.
Where can I buy Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate?
You can request a quote for Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.