![3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid structure](/static/products/899/899395-46-1.png)
3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid
TL;DR: 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid (CAS 899395-46-1) is a chemical compound with molecular formula C23H26ClN3O5 and molecular weight 459.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid
Also Known As: 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid, (1r,3s,5R,7S)-3-(5-chloro-4-((2,4-dimethoxyphenyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid, 3-[5-chloro-4-[(2,4-dimethoxyphenyl)amino]-6-oxo-pyridazin-1-yl]adamantane-1-carboxylic Acid, 3-{5-CHLORO-4-[(2,4-DIMETHOXYPHENYL)AMINO]-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ADAMANTANE-1-CARBOXYLIC ACID, 3-{5-chloro-4-[(2,4-dimethoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
| Molecular Formula | C23H26ClN3O5 |
|---|---|
| Molecular Weight | 459.16 g/mol |
| LogP | 4.0376 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1561 |
| Heavy Atoms | 32 |
| Complexity | 1132.9371 |
Chemical Identifiers
| CAS Number | 899395-46-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl)OC |
Product Overview
3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid (CAS 899395-46-1), with molecular formula C23H26ClN3O5 and molecular weight 459.16 g/mol. IUPAC: 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid.
Chemical Property Profile of 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid
Property Insights of 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid
The XLogP value of 4.0376 indicates that 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid. Following Lipinski's Rule of Five, 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid has 2 hydrogen bond donor(s) and 6 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 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid?
The CAS number of 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid is 899395-46-1.
What is the molecular formula of 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid?
The molecular formula of 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid is C23H26ClN3O5.
What is the molecular weight of 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid?
The molecular weight of 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid is 459.16 g/mol.
Where can I buy 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid?
You can request a quote for 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-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 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.