8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl
TL;DR: 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl (CAS 102395-53-9) is a chemical compound with molecular formula C27H35ClFN3O2 and molecular weight 487.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butan-2-yl-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
Also Known As: 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl, 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-3-(1-methylpropyl)-1-phenyl-, monohydrochloride, 3-Sec-butyl-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride, 2-butan-2-yl-8-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride, 3-(Butan-2-yl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one--hydrogen chloride (1/1)
| Molecular Formula | C27H35ClFN3O2 |
|---|---|
| Molecular Weight | 487.24 g/mol |
| LogP | 5.1498 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.24017 |
| Heavy Atoms | 34 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 102395-53-9 |
|---|---|
| SMILES | CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl |
| InChIKey | YWLLNDLWZAXFHQ-UHFFFAOYSA-N |
Product Overview
8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl (CAS 102395-53-9), with molecular formula C27H35ClFN3O2 and molecular weight 487.24 g/mol. IUPAC: 3-butan-2-yl-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.
Chemical Property Profile of 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl
Property Insights of 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl
The XLogP value of 5.1498 indicates that 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl?
The CAS number of 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl is 102395-53-9.
What is the molecular formula of 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl?
The molecular formula of 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl is C27H35ClFN3O2.
What is the molecular weight of 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl?
The molecular weight of 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl is 487.24 g/mol.
Where can I buy 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl?
You can request a quote for 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl?
Yes, KEHONG BIO provides custom synthesis services for 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.