(1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid
TL;DR: (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid (CAS 900256-06-6) is a chemical compound with molecular formula C25H30ClN3O5 and molecular weight 487.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid
Also Known As: (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid, 3-[5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid, 3-[5-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
| Molecular Formula | C25H30ClN3O5 |
|---|---|
| Molecular Weight | 487.19 g/mol |
| LogP | 3.9486 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.1874 |
| Heavy Atoms | 34 |
| Complexity | 1165.6265 |
Chemical Identifiers
| CAS Number | 900256-06-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl)OC |
Product Overview
(1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid (CAS 900256-06-6), with molecular formula C25H30ClN3O5 and molecular weight 487.19 g/mol. IUPAC: 3-[5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid.
Chemical Property Profile of (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid
Property Insights of (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid
The XLogP value of 3.9486 indicates that (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid. Following Lipinski's Rule of Five, (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic 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 (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The CAS number of (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid is 900256-06-6.
What is the molecular formula of (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The molecular formula of (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid is C25H30ClN3O5.
What is the molecular weight of (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The molecular weight of (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid is 487.19 g/mol.
Where can I buy (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
You can request a quote for (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.