![(3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid structure](/static/products/898/898608-85-0.png)
(3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid
TL;DR: (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid (CAS 898608-85-0) is a chemical compound with molecular formula C23H25Cl2N3O3 and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[5-chloro-4-[(2-chlorophenyl)methylamino]-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid
Also Known As: (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid, 2-((1r,3s,5R,7S)-3-(5-chloro-4-((2-chlorobenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantan-1-yl)acetic acid, 2-[3-(5-CHLORO-4-{[(2-CHLOROPHENYL)METHYL]AMINO}-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ADAMANTAN-1-YL]ACETIC ACID, 2-[3-[5-chloro-4-[(2-chlorophenyl)methylamino]-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic Acid, 2-[3-[5-chloro-4-[(2-chlorophenyl)methylamino]-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid
| Molecular Formula | C23H25Cl2N3O3 |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 4.9324 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.1273 |
| Heavy Atoms | 31 |
| Complexity | 1085.7146 |
Chemical Identifiers
| CAS Number | 898608-85-0 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CC=C5Cl)Cl)CC(=O)O |
Product Overview
(3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid (CAS 898608-85-0), with molecular formula C23H25Cl2N3O3 and molecular weight 461.13 g/mol. IUPAC: 2-[3-[5-chloro-4-[(2-chlorophenyl)methylamino]-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid.
Chemical Property Profile of (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid
Property Insights of (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid
The XLogP value of 4.9324 indicates that (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic 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-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid. Following Lipinski's Rule of Five, (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic 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-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid?
The CAS number of (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid is 898608-85-0.
What is the molecular formula of (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid?
The molecular formula of (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid is C23H25Cl2N3O3.
What is the molecular weight of (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid?
The molecular weight of (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid is 461.13 g/mol.
Where can I buy (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid?
You can request a quote for (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-{5-chloro-4-[(2-chlorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.