1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride
TL;DR: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride (CAS 54080-19-2) is a chemical compound with molecular formula C26H33ClFN3O3 and molecular weight 489.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
Also Known As: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride, 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride, 8-{3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propyl}-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one--hydrogen chloride (1/1), RefChem:217655
| Molecular Formula | C26H33ClFN3O3 |
|---|---|
| Molecular Weight | 489.22 g/mol |
| LogP | 3.998 |
| Topological Polar Surface Area | 45.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.21945 |
| Heavy Atoms | 34 |
| Complexity | 961.0159 |
Chemical Identifiers
| CAS Number | 54080-19-2 |
|---|---|
| SMILES | CN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl |
Product Overview
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride (CAS 54080-19-2), with molecular formula C26H33ClFN3O3 and molecular weight 489.22 g/mol. IUPAC: 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.
Chemical Property Profile of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride
Property Insights of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride
The XLogP value of 3.998 indicates that 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.25 Ų, 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride has 0 hydrogen bond donor(s) and 5 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 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride?
The CAS number of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride is 54080-19-2.
What is the molecular formula of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride?
The molecular formula of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride is C26H33ClFN3O3.
What is the molecular weight of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride?
The molecular weight of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride is 489.22 g/mol.
Where can I buy 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride?
You can request a quote for 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-methyl-1-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.