(1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid
TL;DR: (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid (CAS 896821-45-7) is a chemical compound with molecular formula C22H21ClF3N3O3 and molecular weight 467.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-6-oxo-4-[3-(trifluoromethyl)anilino]pyridazin-1-yl]adamantane-1-carboxylic acid
Also Known As: (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid, 3-[5-chloro-6-oxo-4-[[3-(trifluoromethyl)phenyl]amino]pyridazin-1-yl]adamantane-1-carboxylic Acid, 3-[5-chloro-6-oxo-4-[3-(trifluoromethyl)anilino]pyridazin-1-yl]adamantane-1-carboxylic acid, 3-[5-chloro-6-oxo-4-{[3-(trifluoromethyl)phenyl]amino}pyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
| Molecular Formula | C22H21ClF3N3O3 |
|---|---|
| Molecular Weight | 467.12 g/mol |
| LogP | 5.0392 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.12234 |
| Heavy Atoms | 32 |
| Complexity | 1149.0857 |
Chemical Identifiers
| CAS Number | 896821-45-7 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=CC(=C5)C(F)(F)F)Cl)C(=O)O |
Product Overview
(1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid (CAS 896821-45-7), with molecular formula C22H21ClF3N3O3 and molecular weight 467.12 g/mol. IUPAC: 3-[5-chloro-6-oxo-4-[3-(trifluoromethyl)anilino]pyridazin-1-yl]adamantane-1-carboxylic acid.
Chemical Property Profile of (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid
Property Insights of (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid
The XLogP value of 5.0392 indicates that (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid. Following Lipinski's Rule of Five, (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The CAS number of (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid is 896821-45-7.
What is the molecular formula of (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The molecular formula of (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid is C22H21ClF3N3O3.
What is the molecular weight of (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The molecular weight of (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid is 467.12 g/mol.
Where can I buy (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
You can request a quote for (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1r,3r)-3-(5-chloro-6-oxo-4-((3-(trifluoromethyl)phenyl)amino)pyridazin-1(6H)-yl)adamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.