![1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline structure](/static/products/7063/7063-11-8.webp)
1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline
TL;DR: 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline (CAS 7063-11-8) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitrophenyl)sulfonyl-5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
Also Known As: 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.8291 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 922.10675 |
Chemical Identifiers
| CAS Number | 7063-11-8 |
|---|---|
| SMILES | C1CC2=C3C1N(CCC3=CC=C2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline (CAS 7063-11-8), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: 5-(4-nitrophenyl)sulfonyl-5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene.
Chemical Property Profile of 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline
Property Insights of 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline
The XLogP value of 2.8291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline. Following Lipinski's Rule of Five, 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline has 0 hydrogen bond donor(s) and 4 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 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline?
The CAS number of 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline is 7063-11-8.
What is the molecular formula of 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline?
The molecular formula of 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline is C17H16N2O4S.
What is the molecular weight of 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline?
The molecular weight of 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline is 344.08 g/mol.
Where can I buy 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline?
You can request a quote for 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrobenzene-1-sulfonyl)-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.