3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl
TL;DR: 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl (CAS 58350-25-7) is a chemical compound with molecular formula C21H28Cl2N2 and molecular weight 378.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylethyl)-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine;dihydrochloride
Also Known As: 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl, Pyrazino(1,2-b)(2)benzazepine, 1,2,3,4,6,11,12,12a-octahydro-2-(2-phenylethyl)-, dihydrochloride, 3-phenethyl-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine dihydrochloride, 2-(2-Phenylethyl)-1,2,3,4,6,11,12,12a-octahydropyrazino[1,2-b][2]benzazepine--hydrogen chloride (1/2), RefChem:376026
| Molecular Formula | C21H28Cl2N2 |
|---|---|
| Molecular Weight | 378.16 g/mol |
| LogP | 4.2053 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.16296 |
| Heavy Atoms | 25 |
| Complexity | 647.3541 |
Chemical Identifiers
| CAS Number | 58350-25-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2CN3C1CN(CC3)CCC4=CC=CC=C4.Cl.Cl |
Product Overview
3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl (CAS 58350-25-7), with molecular formula C21H28Cl2N2 and molecular weight 378.16 g/mol. IUPAC: 3-(2-phenylethyl)-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine;dihydrochloride.
Chemical Property Profile of 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl
Property Insights of 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl
The XLogP value of 4.2053 indicates that 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl has 0 hydrogen bond donor(s) and 2 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 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl?
The CAS number of 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl is 58350-25-7.
What is the molecular formula of 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl?
The molecular formula of 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl is C21H28Cl2N2.
What is the molecular weight of 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl?
The molecular weight of 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl is 378.16 g/mol.
Where can I buy 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl?
You can request a quote for 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl?
Yes, KEHONG BIO provides custom synthesis services for 3-(beta-Phenethyl)-1,2,3,4,4a,5,6,11-octahydropyrazino(1,2-b)(2)benzazepine 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.