(Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate
TL;DR: (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate (CAS 313976-54-4) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-2-cyano-3-[2-(cyanomethoxy)phenyl]prop-2-enoate
Also Known As: (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate, ethyl (Z)-2-cyano-3-[2-(cyanomethoxy)phenyl]prop-2-enoate, F0345-1636, ETHYL (2Z)-2-CYANO-3-[2-(CYANOMETHOXY)PHENYL]PROP-2-ENOATE
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.05906 |
| Topological Polar Surface Area | 83.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 564.7892 |
Chemical Identifiers
| CAS Number | 313976-54-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC=CC=C1OCC#N)/C#N |
Product Overview
(Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate (CAS 313976-54-4), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: ethyl (Z)-2-cyano-3-[2-(cyanomethoxy)phenyl]prop-2-enoate.
Chemical Property Profile of (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate
Property Insights of (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate
The XLogP value of 2.05906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate. The TPSA of 83.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate. Following Lipinski's Rule of Five, (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate has 0 hydrogen bond donor(s) and 5 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 (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate?
The CAS number of (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate is 313976-54-4.
What is the molecular formula of (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate?
The molecular formula of (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate is C14H12N2O3.
What is the molecular weight of (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate?
The molecular weight of (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate is 256.08 g/mol.
Where can I buy (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate?
You can request a quote for (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-cyano-3-(2-(cyanomethoxy)phenyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.