2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl
TL;DR: 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl (CAS 58350-13-3) is a chemical compound with molecular formula C23H29Cl2FN2O and molecular weight 438.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-2-yl)-1-(4-fluorophenyl)butan-1-one;dihydrochloride
Also Known As: 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl, 1-Butanone, 1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino(2,1-b)(3)benzazepin-2(1H)-yl)-, dihydrochloride, 1-(4-Fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[2,1-b][3]benzazepin-2(1H)-yl)butan-1-one--hydrogen chloride (1/2), 4-(3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-2-yl)-1-(4-fluorophenyl)butan-1-one dihydrochloride, RefChem:228857
| Molecular Formula | C23H29Cl2FN2O |
|---|---|
| Molecular Weight | 438.16 g/mol |
| LogP | 4.4172 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.1641 |
| Heavy Atoms | 29 |
| Complexity | 799.7198 |
Chemical Identifiers
| CAS Number | 58350-13-3 |
|---|---|
| SMILES | C1CN2CCN(CC2CC3=CC=CC=C31)CCCC(=O)C4=CC=C(C=C4)F.Cl.Cl |
Product Overview
2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl (CAS 58350-13-3), with molecular formula C23H29Cl2FN2O and molecular weight 438.16 g/mol. IUPAC: 4-(3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-2-yl)-1-(4-fluorophenyl)butan-1-one;dihydrochloride.
Chemical Property Profile of 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl
Property Insights of 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl
The XLogP value of 4.4172 indicates that 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl has 0 hydrogen bond donor(s) and 3 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-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl?
The CAS number of 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl is 58350-13-3.
What is the molecular formula of 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl?
The molecular formula of 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl is C23H29Cl2FN2O.
What is the molecular weight of 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl?
The molecular weight of 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl is 438.16 g/mol.
Where can I buy 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl?
You can request a quote for 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl?
Yes, KEHONG BIO provides custom synthesis services for 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.