Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride
TL;DR: Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride (CAS 115041-65-1) is a chemical compound with molecular formula C23H30ClN3OS and molecular weight 431.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[3-(1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-2-yl)propylsulfanyl]phenyl]acetamide;hydrochloride
Also Known As: Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride, N-(4-{[3-(1,3,4,6,11,11a-Hexahydro-2H-pyrazino[1,2-b]isoquinolin-2-yl)propyl]sulfanyl}phenyl)ethanimidic acid--hydrogen chloride (1/1), N-[4-[3-(1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-2-yl)propylsulfanyl]phenyl]acetamide hydrochloride
| Molecular Formula | C23H30ClN3OS |
|---|---|
| Molecular Weight | 431.18 g/mol |
| LogP | 4.2915 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.1798 |
| Heavy Atoms | 29 |
| Complexity | 814.02515 |
Chemical Identifiers
| CAS Number | 115041-65-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)SCCCN2CCN3CC4=CC=CC=C4CC3C2.Cl |
Product Overview
Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride (CAS 115041-65-1), with molecular formula C23H30ClN3OS and molecular weight 431.18 g/mol. IUPAC: N-[4-[3-(1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-2-yl)propylsulfanyl]phenyl]acetamide;hydrochloride.
Chemical Property Profile of Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride
Property Insights of Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride
The XLogP value of 4.2915 indicates that Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride has 1 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 Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride?
The CAS number of Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride is 115041-65-1.
What is the molecular formula of Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride?
The molecular formula of Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride is C23H30ClN3OS.
What is the molecular weight of Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride?
The molecular weight of Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride is 431.18 g/mol.
Where can I buy Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride?
You can request a quote for Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.