![ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate structure](/static/products/4778/477867-38-2.webp)
ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate
TL;DR: ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate (CAS 477867-38-2) is a chemical compound with molecular formula C20H19Cl2N5O3 and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate
Also Known As: ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate, ethyl 3-{4-[5-chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydro-4-pyridazinyl]piperazino}-2-cyanoacrylate
| Molecular Formula | C20H19Cl2N5O3 |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 2.63188 |
| Topological Polar Surface Area | 91.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.0865 |
| Heavy Atoms | 30 |
| Complexity | 1068.8422 |
Chemical Identifiers
| CAS Number | 477867-38-2 |
|---|---|
| SMILES | CCOC(=O)C(=CN1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)Cl)C#N |
Product Overview
ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate (CAS 477867-38-2), with molecular formula C20H19Cl2N5O3 and molecular weight 447.09 g/mol. IUPAC: ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate.
Chemical Property Profile of ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate
Property Insights of ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate
The XLogP value of 2.63188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate. The TPSA of 91.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate has 0 hydrogen bond donor(s) and 7 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 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate?
The CAS number of ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate is 477867-38-2.
What is the molecular formula of ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate?
The molecular formula of ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate is C20H19Cl2N5O3.
What is the molecular weight of ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate?
The molecular weight of ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate is 447.09 g/mol.
Where can I buy ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate?
You can request a quote for ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.