![1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid structure](/static/products/102/1024343-93-8.png)
1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
TL;DR: 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid (CAS 1024343-93-8) is a chemical compound with molecular formula C22H22ClN3O5 and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
Also Known As: 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid, 1-[4-[(4-carboxyphenyl)amino]-5-chloro-6-oxo-pyridazin-1-yl]adamantane-2-carboxylic Acid, (1S,2R,3S,5R,7S)-1-(4-((4-carboxyphenyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid, 1-{4-[(4-CARBOXYPHENYL)AMINO]-5-CHLORO-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ADAMANTANE-2-CARBOXYLIC ACID, 1-{4-[(4-carboxyphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
| Molecular Formula | C22H22ClN3O5 |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 3.5745 |
| Topological Polar Surface Area | 121.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.1248 |
| Heavy Atoms | 31 |
| Complexity | 1114.9565 |
Chemical Identifiers
| CAS Number | 1024343-93-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3C(=O)O)N4C(=O)C(=C(C=N4)NC5=CC=C(C=C5)C(=O)O)Cl |
Product Overview
1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid (CAS 1024343-93-8), with molecular formula C22H22ClN3O5 and molecular weight 443.12 g/mol. IUPAC: 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid.
Chemical Property Profile of 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
Property Insights of 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
The XLogP value of 3.5745 indicates that 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid. Following Lipinski's Rule of Five, 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid has 3 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-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid?
The CAS number of 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid is 1024343-93-8.
What is the molecular formula of 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid?
The molecular formula of 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid is C22H22ClN3O5.
What is the molecular weight of 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid?
The molecular weight of 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid is 443.12 g/mol.
Where can I buy 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid?
You can request a quote for 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.