![(1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid structure](/static/products/896/896600-07-0.png)
(1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid
TL;DR: (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid (CAS 896600-07-0) 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-[5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid
Also Known As: (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid, 3-[5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, 3-[5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid, 3-{5-CHLORO-4-[(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)AMINO]-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ADAMANTANE-1-CARBOXYLIC ACID
| Molecular Formula | C23H24ClN3O5 |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 3.7916 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.14044 |
| Heavy Atoms | 32 |
| Complexity | 1164.7072 |
Chemical Identifiers
| CAS Number | 896600-07-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)(C5)C(=O)O)Cl |
Product Overview
(1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid (CAS 896600-07-0), with molecular formula C23H24ClN3O5 and molecular weight 457.14 g/mol. IUPAC: 3-[5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid.
Chemical Property Profile of (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid
Property Insights of (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid
The XLogP value of 3.7916 indicates that (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)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-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid. Following Lipinski's Rule of Five, (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)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-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The CAS number of (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid is 896600-07-0.
What is the molecular formula of (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The molecular formula of (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid is C23H24ClN3O5.
What is the molecular weight of (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
The molecular weight of (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid is 457.14 g/mol.
Where can I buy (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid?
You can request a quote for (1r,3s,5R,7S)-3-(5-chloro-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)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-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)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-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.