(1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid
TL;DR: (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid (CAS 1024286-85-8) is a chemical compound with molecular formula C23H26ClN3O4 and molecular weight 443.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-chloro-4-[(2-methoxyphenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
Also Known As: (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid, 1-(5-CHLORO-4-{[(2-METHOXYPHENYL)METHYL]AMINO}-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ADAMANTANE-2-CARBOXYLIC ACID, 1-[5-chloro-4-[(2-methoxyphenyl)methylamino]-6-oxo-pyridazin-1-yl]adamantane-2-carboxylic Acid, 1-[5-chloro-4-[(2-methoxyphenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid, 1-{5-chloro-4-[(2-methoxybenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
| Molecular Formula | C23H26ClN3O4 |
|---|---|
| Molecular Weight | 443.16 g/mol |
| LogP | 3.7534 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1612 |
| Heavy Atoms | 31 |
| Complexity | 1070.7316 |
Chemical Identifiers
| CAS Number | 1024286-85-8 |
|---|---|
| SMILES | COC1=CC=CC=C1CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)O)Cl |
Product Overview
(1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid (CAS 1024286-85-8), with molecular formula C23H26ClN3O4 and molecular weight 443.16 g/mol. IUPAC: 1-[5-chloro-4-[(2-methoxyphenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid.
Chemical Property Profile of (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid
Property Insights of (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid
The XLogP value of 3.7534 indicates that (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic 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 (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid. Following Lipinski's Rule of Five, (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic 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 (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
The CAS number of (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid is 1024286-85-8.
What is the molecular formula of (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
The molecular formula of (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid is C23H26ClN3O4.
What is the molecular weight of (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
The molecular weight of (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid is 443.16 g/mol.
Where can I buy (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
You can request a quote for (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.