![(1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid structure](/static/products/904/904210-41-9.png)
(1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid
TL;DR: (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid (CAS 904210-41-9) is a chemical compound with molecular formula C23H24ClN3O5 and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzodioxol-5-ylmethylamino)-5-chloro-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid
Also Known As: (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid, 3-(4-{[(2H-1,3-BENZODIOXOL-5-YL)METHYL]AMINO}-5-CHLORO-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ADAMANTANE-1-CARBOXYLIC ACID, 3-[4-(1,3-benzodioxol-5-ylmethylamino)-5-chloro-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid, 3-[4-(benzo[1,3]dioxol-5-ylmethylamino)-5-chloro-6-oxo-pyridazin-1-yl]adamantane-1-carboxylic Acid, 3-{4-[(1,3-benzodioxol-5-ylmethyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
| Molecular Formula | C23H24ClN3O5 |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 3.6176 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.14044 |
| Heavy Atoms | 32 |
| Complexity | 1164.7072 |
Chemical Identifiers
| CAS Number | 904210-41-9 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC6=C(C=C5)OCO6)Cl)C(=O)O |
Product Overview
(1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid (CAS 904210-41-9), with molecular formula C23H24ClN3O5 and molecular weight 457.14 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethylamino)-5-chloro-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid.
Chemical Property Profile of (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid
Property Insights of (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid
The XLogP value of 3.6176 indicates that (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-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-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid. Following Lipinski's Rule of Five, (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-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-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The CAS number of (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid is 904210-41-9.
What is the molecular formula of (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The molecular formula of (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid is C23H24ClN3O5.
What is the molecular weight of (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The molecular weight of (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid is 457.14 g/mol.
Where can I buy (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
You can request a quote for (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-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-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1r,3s,5R,7S)-3-(4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.