![(3-{5-chloro-4-[(3-methoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid structure](/static/products/900/900608-27-7.png)
(3-{5-chloro-4-[(3-methoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid
TL;DR: (3-{5-chloro-4-[(3-methoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid (CAS 900608-27-7) 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.
2-[3-[5-chloro-4-(3-methoxyanilino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid
Also Known As: (3-{5-chloro-4-[(3-methoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid, 2-[3-[5-chloro-4-(3-methoxyanilino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid, 2-[3-[5-chloro-4-[(3-methoxyphenyl)amino]-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic Acid, 2-((1r,3s,5R,7S)-3-(5-chloro-4-((3-methoxyphenyl)amino)-6-oxopyridazin-1(6H)-yl)adamantan-1-yl)acetic acid, 2-(3-{5-CHLORO-4-[(3-METHOXYPHENYL)AMINO]-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ADAMANTAN-1-YL)ACETIC ACID
| Molecular Formula | C23H26ClN3O4 |
|---|---|
| Molecular Weight | 443.16 g/mol |
| LogP | 4.4191 |
| 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 | 1084.4695 |
Chemical Identifiers
| CAS Number | 900608-27-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl |
Product Overview
(3-{5-chloro-4-[(3-methoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid (CAS 900608-27-7), with molecular formula C23H26ClN3O4 and molecular weight 443.16 g/mol. IUPAC: 2-[3-[5-chloro-4-(3-methoxyanilino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid.
Chemical Property Profile of (3-{5-chloro-4-[(3-methoxyphenyl)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-[(3-methoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid
The XLogP value of 4.4191 indicates that (3-{5-chloro-4-[(3-methoxyphenyl)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 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-{5-chloro-4-[(3-methoxyphenyl)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-[(3-methoxyphenyl)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 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-{5-chloro-4-[(3-methoxyphenyl)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-[(3-methoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid is 900608-27-7.
What is the molecular formula of (3-{5-chloro-4-[(3-methoxyphenyl)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-[(3-methoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid is C23H26ClN3O4.
What is the molecular weight of (3-{5-chloro-4-[(3-methoxyphenyl)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-[(3-methoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid is 443.16 g/mol.
Where can I buy (3-{5-chloro-4-[(3-methoxyphenyl)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-[(3-methoxyphenyl)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-[(3-methoxyphenyl)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-[(3-methoxyphenyl)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.