![{3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid structure](/static/products/896/896852-80-5.png)
{3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid
TL;DR: {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid (CAS 896852-80-5) is a chemical compound with molecular formula C24H26ClN3O5 and molecular weight 471.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloro-6-oxopyridazin-4-yl]amino]phenyl]acetic acid
Also Known As: {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid, {3-[4-{[4-(carboxymethyl)phenyl]amino}-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid, 2-(4-((1-((1s,3r,5R,7S)-3-(carboxymethyl)adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)amino)phenyl)acetic acid, 2-[3-(4-{[4-(CARBOXYMETHYL)PHENYL]AMINO}-5-CHLORO-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ADAMANTAN-1-YL]ACETIC ACID, 2-[4-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloro-6-oxo-pyridazin-4-yl]amino]phenyl]acetic Acid
| Molecular Formula | C24H26ClN3O5 |
|---|---|
| Molecular Weight | 471.16 g/mol |
| LogP | 4.0376 |
| Topological Polar Surface Area | 121.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.1561 |
| Heavy Atoms | 33 |
| Complexity | 1161.6124 |
Chemical Identifiers
| CAS Number | 896852-80-5 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=C(C=C5)CC(=O)O)Cl)CC(=O)O |
Product Overview
{3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid (CAS 896852-80-5), with molecular formula C24H26ClN3O5 and molecular weight 471.16 g/mol. IUPAC: 2-[4-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloro-6-oxopyridazin-4-yl]amino]phenyl]acetic acid.
Chemical Property Profile of {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid
Property Insights of {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid
The XLogP value of 4.0376 indicates that {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.52 Ų falls within the moderate polarity range, balancing permeability and solubility for {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid. Following Lipinski's Rule of Five, {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid has 3 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-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid?
The CAS number of {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid is 896852-80-5.
What is the molecular formula of {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid?
The molecular formula of {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid is C24H26ClN3O5.
What is the molecular weight of {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid?
The molecular weight of {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid is 471.16 g/mol.
Where can I buy {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid?
You can request a quote for {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-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-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {3-[4-(4-Carboxymethyl-phenylamino)-5-chloro-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.