![methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate structure](/static/products/896/896835-94-2.png)
methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate
TL;DR: methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate (CAS 896835-94-2) is a chemical compound with molecular formula C22H24ClN3O3 and molecular weight 413.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate
Also Known As: methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate, methyl 4-((1-((1s,3s)-adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)amino)benzoate, METHYL 4-{[1-(ADAMANTAN-1-YL)-5-CHLORO-6-OXO-1,6-DIHYDROPYRIDAZIN-4-YL]AMINO}BENZOATE, methyl 4-{[5-chloro-6-oxo-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,6-dihydropyridazin-4-yl]amino}benzoate
| Molecular Formula | C22H24ClN3O3 |
|---|---|
| Molecular Weight | 413.15 g/mol |
| LogP | 4.3522 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1506 |
| Heavy Atoms | 29 |
| Complexity | 979.66864 |
Chemical Identifiers
| CAS Number | 896835-94-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl |
Product Overview
methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate (CAS 896835-94-2), with molecular formula C22H24ClN3O3 and molecular weight 413.15 g/mol. IUPAC: methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate.
Chemical Property Profile of methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate
Property Insights of methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate
The XLogP value of 4.3522 indicates that methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate has 1 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 methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate?
The CAS number of methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate is 896835-94-2.
What is the molecular formula of methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate?
The molecular formula of methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate is C22H24ClN3O3.
What is the molecular weight of methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate?
The molecular weight of methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate is 413.15 g/mol.
Where can I buy methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate?
You can request a quote for methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.