2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline
TL;DR: 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline (CAS 7063-06-1) is a chemical compound with molecular formula C19H20N2O4S2 and molecular weight 404.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline
Also Known As: 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline, 2-(2-Nitrobenzene-1-sulfonyl)-1-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C19H20N2O4S2 |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 3.636 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.08646 |
| Heavy Atoms | 27 |
| Complexity | 971.1799 |
Chemical Identifiers
| CAS Number | 7063-06-1 |
|---|---|
| SMILES | C1CSCC1C2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline (CAS 7063-06-1), with molecular formula C19H20N2O4S2 and molecular weight 404.09 g/mol. IUPAC: 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline
Property Insights of 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline
The XLogP value of 3.636 indicates that 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline. Following Lipinski's Rule of Five, 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline has 0 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 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline is 7063-06-1.
What is the molecular formula of 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline is C19H20N2O4S2.
What is the molecular weight of 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline is 404.09 g/mol.
Where can I buy 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-nitrophenyl)sulfonyl-1-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.