![3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid structure](/static/products/896/896079-56-4.png)
3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid
TL;DR: 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid (CAS 896079-56-4) is a chemical compound with molecular formula C22H24ClN3O4 and molecular weight 429.15 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]-4-methoxybenzoic acid
Also Known As: 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid, 3-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]-4-methoxybenzoic acid, 3-((1-((3s,5s,7s)-adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)amino)-4-methoxybenzoic acid, 3-{[1-(ADAMANTAN-1-YL)-5-CHLORO-6-OXO-1,6-DIHYDROPYRIDAZIN-4-YL]AMINO}-4-METHOXYBENZOIC ACID, 3-{[5-chloro-6-oxo-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,6-dihydropyridazin-4-yl]amino}-4-methoxybenzoic acid
| Molecular Formula | C22H24ClN3O4 |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 4.2724 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.14554 |
| Heavy Atoms | 30 |
| Complexity | 1045.2535 |
Chemical Identifiers
| CAS Number | 896079-56-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl |
Product Overview
3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid (CAS 896079-56-4), with molecular formula C22H24ClN3O4 and molecular weight 429.15 g/mol. IUPAC: 3-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]-4-methoxybenzoic acid.
Chemical Property Profile of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid
Property Insights of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid
The XLogP value of 4.2724 indicates that 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid. Following Lipinski's Rule of Five, 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid has 2 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 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid?
The CAS number of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid is 896079-56-4.
What is the molecular formula of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid?
The molecular formula of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid is C22H24ClN3O4.
What is the molecular weight of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid?
The molecular weight of 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid is 429.15 g/mol.
Where can I buy 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid?
You can request a quote for 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-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]-4-methoxy-benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.