![3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid structure](/static/products/896/896810-30-3.png)
3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid
TL;DR: 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid (CAS 896810-30-3) 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.
3-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoic acid
Also Known As: 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid, 3-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoic acid, 3-((1-((3s,5s,7s)-adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)amino)benzoic acid, 3-{[1-(ADAMANTAN-1-YL)-5-CHLORO-6-OXO-1,6-DIHYDROPYRIDAZIN-4-YL]AMINO}BENZOIC ACID, 3-{[5-chloro-6-oxo-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,6-dihydropyridazin-4-yl]amino}benzoic acid
| Molecular Formula | C21H22ClN3O3 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 4.2638 |
| 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 | 980.91144 |
Chemical Identifiers
| CAS Number | 896810-30-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=CC(=C5)C(=O)O)Cl |
Product Overview
3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid (CAS 896810-30-3), with molecular formula C21H22ClN3O3 and molecular weight 399.13 g/mol. IUPAC: 3-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoic acid.
Chemical Property Profile of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid
Property Insights of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid
The XLogP value of 4.2638 indicates that 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic 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 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid. Following Lipinski's Rule of Five, 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic 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 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid?
The CAS number of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid is 896810-30-3.
What is the molecular formula of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid?
The molecular formula of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid is C21H22ClN3O3.
What is the molecular weight of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid?
The molecular weight of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid is 399.13 g/mol.
Where can I buy 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid?
You can request a quote for 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.