2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 853902-85-9) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: VU0512808-1, AS-871/43302833, 2-(3,4-dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline, 2-((3,4-dimethyl-5-nitrophenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline, F3179-0382
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.95864 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 922.1829 |
Chemical Identifiers
| CAS Number | 853902-85-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 853902-85-9), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: 2-(3,4-dimethyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.95864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline 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 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline is 853902-85-9.
What is the molecular formula of 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline is C17H18N2O4S.
What is the molecular weight of 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline is 346.10 g/mol.
Where can I buy 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.