![(1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid structure](/static/products/100/1005072-54-7.png)
(1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid
TL;DR: (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid (CAS 1005072-54-7) is a chemical compound with molecular formula C22H28ClN3O5 and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
Also Known As: (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid, 1-(5-CHLORO-4-{1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YL}-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ADAMANTANE-2-CARBOXYLIC ACID, 1-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantane-2-carboxylic acid, 1-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid, 1-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
| Molecular Formula | C22H28ClN3O5 |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 2.476 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.17175 |
| Heavy Atoms | 31 |
| Complexity | 950.3833 |
Chemical Identifiers
| CAS Number | 1005072-54-7 |
|---|---|
| SMILES | C1CN(CCC12OCCO2)C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)C5C(=O)O)Cl |
Product Overview
(1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid (CAS 1005072-54-7), with molecular formula C22H28ClN3O5 and molecular weight 449.17 g/mol. IUPAC: 1-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid.
Chemical Property Profile of (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid
Property Insights of (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid
The XLogP value of 2.476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid. Following Lipinski's Rule of Five, (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid has 1 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 (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
The CAS number of (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid is 1005072-54-7.
What is the molecular formula of (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
The molecular formula of (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid is C22H28ClN3O5.
What is the molecular weight of (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
The molecular weight of (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid is 449.17 g/mol.
Where can I buy (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
You can request a quote for (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1S,2R,3S,5R,7S)-1-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.