![1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid structure](/static/products/103/1035069-85-2.png)
1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
TL;DR: 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid (CAS 1035069-85-2) is a chemical compound with molecular formula C24H26ClN3O5S and molecular weight 503.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
Also Known As: 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid, 1-Chloro-8-diethylcarbamoyl-2-(2-nitro-phenylsulfanyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoli ne-4-carboxylic acid, 1-chloranyl-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid, 1-chloro-8-(diethylcarbamoyl)-2-((2-nitrophenyl)thio)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid, 1-chloro-8-(diethylcarbamoyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
| Molecular Formula | C24H26ClN3O5S |
|---|---|
| Molecular Weight | 503.13 g/mol |
| LogP | 4.8273 |
| Topological Polar Surface Area | 112.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.12817 |
| Heavy Atoms | 34 |
| Complexity | 1125.5374 |
Chemical Identifiers
| CAS Number | 1035069-85-2 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC2=C(C=C1)NC(C3C2C(C(C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C(=O)O |
Product Overview
1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid (CAS 1035069-85-2), with molecular formula C24H26ClN3O5S and molecular weight 503.13 g/mol. IUPAC: 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid.
Chemical Property Profile of 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
Property Insights of 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
The XLogP value of 4.8273 indicates that 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-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 112.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid. Following Lipinski's Rule of Five, 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid?
The CAS number of 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid is 1035069-85-2.
What is the molecular formula of 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid?
The molecular formula of 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid is C24H26ClN3O5S.
What is the molecular weight of 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid?
The molecular weight of 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid is 503.13 g/mol.
Where can I buy 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid?
You can request a quote for 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-chloro-8-(diethylcarbamoyl)-2-(2-nitrophenyl)sulfanyl-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.