1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid
TL;DR: 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid (CAS 1024344-49-7) is a chemical compound with molecular formula C21H22ClN3O3 and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-anilino-5-chloro-6-oxopyridazin-1-yl)adamantane-2-carboxylic acid
Also Known As: AO-022/43453400, 1-(4-anilino-5-chloro-6-oxo-pyridazin-1-yl)adamantane-2-carboxylic Acid, 1-(4-anilino-5-chloro-6-oxopyridazin-1-yl)adamantane-2-carboxylic acid, 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid, (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(phenylamino)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid
| Molecular Formula | C21H22ClN3O3 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.8763 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.13498 |
| Heavy Atoms | 28 |
| Complexity | 976.1355 |
Chemical Identifiers
| CAS Number | 1024344-49-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3C(=O)O)N4C(=O)C(=C(C=N4)NC5=CC=CC=C5)Cl |
Product Overview
1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid (CAS 1024344-49-7), with molecular formula C21H22ClN3O3 and molecular weight 399.13 g/mol. IUPAC: 1-(4-anilino-5-chloro-6-oxopyridazin-1-yl)adamantane-2-carboxylic acid.
Chemical Property Profile of 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid
Property Insights of 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid
The XLogP value of 3.8763 indicates that 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic 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 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid. Following Lipinski's Rule of Five, 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid has 2 hydrogen bond donor(s) and 4 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-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid?
The CAS number of 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid is 1024344-49-7.
What is the molecular formula of 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid?
The molecular formula of 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid is C21H22ClN3O3.
What is the molecular weight of 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid?
The molecular weight of 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid is 399.13 g/mol.
Where can I buy 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid?
You can request a quote for 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic 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-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-anilino-5-chloro-6-oxo-1(6H)-pyridazinyl)-2-adamantanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.