1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester
TL;DR: 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester (CAS 75643-51-5) is a chemical compound with molecular formula C23H19Cl2N3O3 and molecular weight 455.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]butanoate
Also Known As: 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester, ethyl 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]butanoate, Ethyl 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1(6H)-yl]butanoate
| Molecular Formula | C23H19Cl2N3O3 |
|---|---|
| Molecular Weight | 455.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.08035 |
| Heavy Atoms | 31 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 75643-51-5 |
|---|---|
| SMILES | CCOC(=O)CCCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N |
| InChIKey | NQJXTTSFYQHHSG-UHFFFAOYSA-N |
Product Overview
1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester (CAS 75643-51-5), with molecular formula C23H19Cl2N3O3 and molecular weight 455.08 g/mol. IUPAC: ethyl 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]butanoate.
Chemical Property Profile of 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester
Property Insights of 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester
The XLogP value of 4.8 indicates that 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester. Following Lipinski's Rule of Five, 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester 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 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester?
The CAS number of 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester is 75643-51-5.
What is the molecular formula of 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester?
The molecular formula of 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester is C23H19Cl2N3O3.
What is the molecular weight of 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester?
The molecular weight of 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester is 455.08 g/mol.
Where can I buy 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester?
You can request a quote for 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.