![1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid structure](/static/products/110/1105522-44-8.webp)
1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
TL;DR: 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid (CAS 1105522-44-8) is a chemical compound with molecular formula C26H28ClN3O5S and molecular weight 529.1438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-8-(2-methylpiperidine-1-carbonyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
Also Known As: 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid, 1-chloro-8-(2-methylpiperidine-1-carbonyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid, 1-chloro-8-[(2-methylpiperidin-1-yl)carbonyl]-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
Technical Specifications
| Molecular Formula | C26H28ClN3O5S |
| Molecular Weight | 529.1438 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.1438 Da |
| Heavy Atoms | 36 |
| Complexity | 858.0 |
| SMILES | CC1CCCCN1C(=O)C2=CC3=C(C=C2)NC(C4C3C(C(C4)SC5=CC=CC=C5[N+](=O)[O-])Cl)C(=O)O |
| InChIKey | CNUOJWXPQWZPJF-UHFFFAOYSA-N |
Chemical Property Profile of 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
Property Insights of 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
The XLogP value of 5.2 indicates that 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid?
The CAS number of 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid is 1105522-44-8.
What is the molecular formula of 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid?
The molecular formula of 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid is C26H28ClN3O5S.
What is the molecular weight of 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid?
The molecular weight of 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid is 529.1438 g/mol.
Where can I buy 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid?
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Does CoreyChem offer custom synthesis for 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-chloro-8-((S)-2-methylpiperidine-1-carbonyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.