Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate
TL;DR: Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate (CAS 84677-45-2) 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 2-(6-chloropyridazin-3-yl)-2-cyanoacetate
Also Known As: ethyl (6-chloro-3-pyridazinyl)(cyano)acetate, ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate, AE-848/33857060, Ethyl 2-(6-chloropyridazin-3-yl)-2-cyano-acetate
| Molecular Formula | C9H8ClN3O2 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 1.30028 |
| Topological Polar Surface Area | 75.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.0305 |
| Heavy Atoms | 15 |
| Complexity | 385.33908 |
Chemical Identifiers
| CAS Number | 84677-45-2 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1=NN=C(C=C1)Cl |
Product Overview
Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate (CAS 84677-45-2), with molecular formula C9H8ClN3O2 and molecular weight 225.03 g/mol. IUPAC: ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate.
Chemical Property Profile of Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate
Property Insights of Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate
The XLogP value of 1.30028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate. The TPSA of 75.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate. Following Lipinski's Rule of Five, Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate 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 Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate?
The CAS number of Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate is 84677-45-2.
What is the molecular formula of Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate?
The molecular formula of Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate is C9H8ClN3O2.
What is the molecular weight of Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate?
The molecular weight of Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate is 225.03 g/mol.
Where can I buy Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate?
You can request a quote for Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(6-chloropyridazin-3-yl)-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.