![1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid structure](/static/products/102/1024307-68-3.png)
1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
TL;DR: 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid (CAS 1024307-68-3) is a chemical compound with molecular formula C23H24ClN3O5 and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(5-carboxy-2-methylanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
Also Known As: 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid, 1-[4-(5-carboxy-2-methylanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid, (1S,2R,3S,5R,7S)-1-(4-((5-carboxy-2-methylphenyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid, 1-[4-[(5-carboxy-2-methyl-phenyl)amino]-5-chloro-6-oxo-pyridazin-1-yl]adamantane-2-carboxylic Acid, 1-{4-[(5-CARBOXY-2-METHYLPHENYL)AMINO]-5-CHLORO-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ADAMANTANE-2-CARBOXYLIC ACID
| Molecular Formula | C23H24ClN3O5 |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 3.88292 |
| Topological Polar Surface Area | 121.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.14044 |
| Heavy Atoms | 32 |
| Complexity | 1178.6398 |
Chemical Identifiers
| CAS Number | 1024307-68-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)O)Cl |
Product Overview
1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid (CAS 1024307-68-3), with molecular formula C23H24ClN3O5 and molecular weight 457.14 g/mol. IUPAC: 1-[4-(5-carboxy-2-methylanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid.
Chemical Property Profile of 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
Property Insights of 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
The XLogP value of 3.88292 indicates that 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-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-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid. Following Lipinski's Rule of Five, 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-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-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid?
The CAS number of 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid is 1024307-68-3.
What is the molecular formula of 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid?
The molecular formula of 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid is C23H24ClN3O5.
What is the molecular weight of 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid?
The molecular weight of 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid is 457.14 g/mol.
Where can I buy 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid?
You can request a quote for 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-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-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.