1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester
TL;DR: 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester (CAS 75643-86-6) is a chemical compound with molecular formula C20H13Cl2N3O3 and molecular weight 413.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]acetate
Also Known As: 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester, methyl 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]acetate, 3-Isoquinolinecarboxylicacid,1,2,3,4-tetrahydro-6,7,8-trihydroxy, Methyl [3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1(6H)-yl]acetate, METHYL 2-[3,4-BIS(4-CHLOROPHENYL)-5-CYANO-6-OXO-PYRIDAZIN-1-YL]ACETATE
| Molecular Formula | C20H13Cl2N3O3 |
|---|---|
| Molecular Weight | 413.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.0334 |
| Heavy Atoms | 28 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 75643-86-6 |
|---|---|
| SMILES | COC(=O)CN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N |
| InChIKey | AORGWHWYNIAQTN-UHFFFAOYSA-N |
Product Overview
1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester (CAS 75643-86-6), with molecular formula C20H13Cl2N3O3 and molecular weight 413.03 g/mol. IUPAC: methyl 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]acetate.
Chemical Property Profile of 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester
Property Insights of 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester
The XLogP value of 4.2 indicates that 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl 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)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester. Following Lipinski's Rule of Five, 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl 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)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester?
The CAS number of 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester is 75643-86-6.
What is the molecular formula of 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester?
The molecular formula of 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester is C20H13Cl2N3O3.
What is the molecular weight of 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester?
The molecular weight of 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester is 413.03 g/mol.
Where can I buy 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester?
You can request a quote for 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl 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)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1(6H)-Pyridazineacetic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.