ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate
TL;DR: ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate (CAS 87544-25-0) is a chemical compound with molecular formula C9H8ClN3O2 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(3-chloro-1H-pyridazin-6-ylidene)-2-cyanoacetate
Also Known As: (Z)-ethyl 2-(6-chloropyridazin-3(2H)-ylidene)-2-cyanoacetate, ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)acetate, ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate, ethyl (2Z)-2-(3-chloro-1H-pyridazin-6-ylidene)-2-cyanoacetate
| Molecular Formula | C9H8ClN3O2 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 1.03888 |
| Topological Polar Surface Area | 74.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.0305 |
| Heavy Atoms | 15 |
| Complexity | 404.07074 |
Chemical Identifiers
| CAS Number | 87544-25-0 |
|---|---|
| SMILES | CCOC(=O)/C(=C\1/C=CC(=NN1)Cl)/C#N |
Product Overview
ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate (CAS 87544-25-0), with molecular formula C9H8ClN3O2 and molecular weight 225.03 g/mol. IUPAC: ethyl (2Z)-2-(3-chloro-1H-pyridazin-6-ylidene)-2-cyanoacetate.
Chemical Property Profile of ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate
Property Insights of ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate
The XLogP value of 1.03888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate. The TPSA of 74.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate. Following Lipinski's Rule of Five, ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate has 1 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 ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate?
The CAS number of ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate is 87544-25-0.
What is the molecular formula of ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate?
The molecular formula of ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate is C9H8ClN3O2.
What is the molecular weight of ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate?
The molecular weight of ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate is 225.03 g/mol.
Where can I buy ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate?
You can request a quote for ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-(6-chloropyridazin-3(2H)-ylidene)(cyano)ethanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.