(1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid
TL;DR: (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid (CAS 1005072-58-1) is a chemical compound with molecular formula C26H31ClN4O4 and molecular weight 498.20337 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
Also Known As: (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid, 1-[5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid, 1-{5-Chloro-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-6-oxo-6H-pyridazin-1-yl}-adamantane-2-carboxylic acid, 1-{5-CHLORO-4-[4-(2-METHOXYPHENYL)PIPERAZIN-1-YL]-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ADAMANTANE-2-CARBOXYLIC ACID, 1-{5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C26H31ClN4O4 |
| Molecular Weight | 498.20337 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.20337 Da |
| Heavy Atoms | 35 |
| Complexity | 932.0 |
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)C5C(=O)O)Cl |
| InChIKey | SJUBZRRWKODFGS-UHFFFAOYSA-N |
Product Description
Applications: AC1NKNLN is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1NKNLN (CAS 1005072-58-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1NKNLN (CAS 1005072-58-1) is a fine chemical with the molecular formula C26H31ClN4O4 and a molecular weight of 498.2 g/mol. It is also known as (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid and 1-[5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid
Property Insights of (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid
The XLogP value of 4.1 indicates that (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid. Following Lipinski's Rule of Five, (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
The CAS number of (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid is 1005072-58-1.
What is the molecular formula of (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
The molecular formula of (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid is C26H31ClN4O4.
What is the molecular weight of (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
The molecular weight of (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid is 498.20337 g/mol.
What are the applications of (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
AC1NKNLN is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1NKNLN (CAS 1005072-58-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
You can request a quote for (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (1S,2R,3S,5R,7S)-1-(5-chloro-4-(4-(2-methoxyphenyl)piperazin-1-yl)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.