![N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide structure](/static/products/7063/7063-15-2.webp)
N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide
TL;DR: N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide (CAS 7063-15-2) is a chemical compound with molecular formula C18H19N3O4S and molecular weight 373.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)-3-nitrobenzenesulfonamide
Also Known As: N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide
| Molecular Formula | C18H19N3O4S |
|---|---|
| Molecular Weight | 373.11 g/mol |
| LogP | 2.5471 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.10962 |
| Heavy Atoms | 26 |
| Complexity | 989.6808 |
Chemical Identifiers
| CAS Number | 7063-15-2 |
|---|---|
| SMILES | CN1CCC2=C3C1CC(C3=CC=C2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] |
Product Overview
N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide (CAS 7063-15-2), with molecular formula C18H19N3O4S and molecular weight 373.11 g/mol. IUPAC: N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)-3-nitrobenzenesulfonamide.
Chemical Property Profile of N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide
Property Insights of N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide
The XLogP value of 2.5471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide. Following Lipinski's Rule of Five, N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide has 1 hydrogen bond donor(s) and 5 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 N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide?
The CAS number of N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide is 7063-15-2.
What is the molecular formula of N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide?
The molecular formula of N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide is C18H19N3O4S.
What is the molecular weight of N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide?
The molecular weight of N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide is 373.11 g/mol.
Where can I buy N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide?
You can request a quote for N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Methyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinolin-7-yl)-3-nitrobenzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.