1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride
TL;DR: 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride (CAS 5420-76-8) is a chemical compound with molecular formula C29H39ClFN3O3 and molecular weight 531.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butan-2-yl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
Also Known As: 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride, 3-Sec-butyl-8-(3-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride, 1,3,8-Triazaspiro[4.5]decan-4-one,8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-3-(1-methylpropyl)-1-phenyl-,hydrochloride (1:1), 2-butan-2-yl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride, 3-(Butan-2-yl)-8-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one--hydrogen chloride (1/1)
| Molecular Formula | C29H39ClFN3O3 |
|---|---|
| Molecular Weight | 531.27 g/mol |
| LogP | 5.1667 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.2664 |
| Heavy Atoms | 37 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 5420-76-8 |
|---|---|
| SMILES | CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl |
| InChIKey | DGIHAGDZGFDIBK-UHFFFAOYSA-N |
Product Overview
1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride (CAS 5420-76-8), with molecular formula C29H39ClFN3O3 and molecular weight 531.27 g/mol. IUPAC: 3-butan-2-yl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-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, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride
Property Insights of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride
The XLogP value of 5.1667 indicates that 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-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, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride?
The CAS number of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride is 5420-76-8.
What is the molecular formula of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride?
The molecular formula of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride is C29H39ClFN3O3.
What is the molecular weight of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride?
The molecular weight of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride is 531.27 g/mol.
Where can I buy 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride?
You can request a quote for 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-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, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3,8-Triazaspiro(4.5)decan-4-one, 3-sec-butyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.