![{3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid structure](/static/products/900/900138-20-7.png)
{3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid
TL;DR: {3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid (CAS 900138-20-7) 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-[3-[5-chloro-4-(4-methoxycarbonylanilino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid
Also Known As: {3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid, 2-[3-[5-chloro-4-(4-methoxycarbonylanilino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid, 2-((1r,3s,5R,7S)-3-(5-chloro-4-((4-(methoxycarbonyl)phenyl)amino)-6-oxopyridazin-1(6H)-yl)adamantan-1-yl)acetic acid, 2-[3-(5-CHLORO-4-{[4-(METHOXYCARBONYL)PHENYL]AMINO}-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ADAMANTAN-1-YL]ACETIC ACID, 2-[3-[5-chloro-4-[(4-methoxycarbonylphenyl)amino]-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic Acid
| Molecular Formula | C24H26ClN3O5 |
|---|---|
| Molecular Weight | 471.16 g/mol |
| LogP | 4.1971 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.1561 |
| Heavy Atoms | 33 |
| Complexity | 1161.6124 |
Chemical Identifiers
| CAS Number | 900138-20-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl |
Product Overview
{3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid (CAS 900138-20-7), with molecular formula C24H26ClN3O5 and molecular weight 471.16 g/mol. IUPAC: 2-[3-[5-chloro-4-(4-methoxycarbonylanilino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid.
Chemical Property Profile of {3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]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-{[4-(methoxycarbonyl)phenyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid
The XLogP value of 4.1971 indicates that {3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]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 110.52 Ų falls within the moderate polarity range, balancing permeability and solubility for {3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]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-{[4-(methoxycarbonyl)phenyl]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 6 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-{[4-(methoxycarbonyl)phenyl]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-{[4-(methoxycarbonyl)phenyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid is 900138-20-7.
What is the molecular formula of {3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]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-{[4-(methoxycarbonyl)phenyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid is C24H26ClN3O5.
What is the molecular weight of {3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]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-{[4-(methoxycarbonyl)phenyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid is 471.16 g/mol.
Where can I buy {3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]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-{[4-(methoxycarbonyl)phenyl]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-{[4-(methoxycarbonyl)phenyl]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-{[4-(methoxycarbonyl)phenyl]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.