6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
TL;DR: 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CAS 316360-12-0) is a chemical compound with molecular formula C17H18N2O6S and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: BAS 00444700, AE-848/34956044, 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline, 2-({2-nitrophenyl}sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, 6,7-dimethoxy-2-((2-nitrophenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C17H18N2O6S |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 2.359 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.08856 |
| Heavy Atoms | 26 |
| Complexity | 957.72064 |
Chemical Identifiers
| CAS Number | 316360-12-0 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC |
Product Overview
6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CAS 316360-12-0), with molecular formula C17H18N2O6S and molecular weight 378.09 g/mol. IUPAC: 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Property Insights of 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
The XLogP value of 2.359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline. Following Lipinski's Rule of Five, 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline has 0 hydrogen bond donor(s) and 6 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 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The CAS number of 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is 316360-12-0.
What is the molecular formula of 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The molecular formula of 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is C17H18N2O6S.
What is the molecular weight of 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The molecular weight of 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is 378.09 g/mol.
Where can I buy 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
You can request a quote for 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-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 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.