Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-
TL;DR: Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)- (CAS 115041-59-3) is a chemical compound with molecular formula C21H27N3O2S and molecular weight 385.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-2-yl)propylsulfonyl]aniline
Also Known As: Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-, 4-[3-(1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-2-yl)propylsulfonyl]aniline, 4-[3-(1,3,4,6,11,11a-Hexahydro-2H-pyrazino[1,2-b]isoquinolin-2-yl)propane-1-sulfonyl]aniline, BRN 5141266, RefChem:322850
| Molecular Formula | C21H27N3O2S |
|---|---|
| Molecular Weight | 385.18 g/mol |
| LogP | 2.1751 |
| Topological Polar Surface Area | 66.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.1824 |
| Heavy Atoms | 27 |
| Complexity | 895.89764 |
Chemical Identifiers
| CAS Number | 115041-59-3 |
|---|---|
| SMILES | C1CN2CC3=CC=CC=C3CC2CN1CCCS(=O)(=O)C4=CC=C(C=C4)N |
Product Overview
Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)- (CAS 115041-59-3), with molecular formula C21H27N3O2S and molecular weight 385.18 g/mol. IUPAC: 4-[3-(1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-2-yl)propylsulfonyl]aniline.
Chemical Property Profile of Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-
Property Insights of Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-
The XLogP value of 2.1751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-. The TPSA of 66.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-. Following Lipinski's Rule of Five, Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)- 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 Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-?
The CAS number of Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)- is 115041-59-3.
What is the molecular formula of Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-?
The molecular formula of Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)- is C21H27N3O2S.
What is the molecular weight of Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-?
The molecular weight of Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)- is 385.18 g/mol.
Where can I buy Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-?
You can request a quote for Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.