8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl
TL;DR: 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl (CAS 57933-19-4) is a chemical compound with molecular formula C22H27Cl2FN2O and molecular weight 424.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)butan-1-one;dihydrochloride
Also Known As: 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl, 1-Butanone, 1-(4-fluorophenyl)-4-(1,3,4,4a,5,9b-hexahydro-8-methyl-2H-pyrido(4,3-b)indol-2-yl)-, dihydrochloride, 1-(4-Fluorophenyl)-4-(8-methyl-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indol-2-yl)butan-1-one--hydrogen chloride (1/2), 1-(4-fluorophenyl)-4-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)butan-1-one dihydrochloride, RefChem:228850
| Molecular Formula | C22H27Cl2FN2O |
|---|---|
| Molecular Weight | 424.15 g/mol |
| LogP | 5.22422 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.14844 |
| Heavy Atoms | 28 |
| Complexity | 812.6841 |
Chemical Identifiers
| CAS Number | 57933-19-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3C2CN(CC3)CCCC(=O)C4=CC=C(C=C4)F.Cl.Cl |
Product Overview
8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl (CAS 57933-19-4), with molecular formula C22H27Cl2FN2O and molecular weight 424.15 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)butan-1-one;dihydrochloride.
Chemical Property Profile of 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl
Property Insights of 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl
The XLogP value of 5.22422 indicates that 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl?
The CAS number of 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl is 57933-19-4.
What is the molecular formula of 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl?
The molecular formula of 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl is C22H27Cl2FN2O.
What is the molecular weight of 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl?
The molecular weight of 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl is 424.15 g/mol.
Where can I buy 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl?
You can request a quote for 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl?
Yes, KEHONG BIO provides custom synthesis services for 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.