1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride
TL;DR: 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride (CAS 102504-72-3) is a chemical compound with molecular formula C24H31ClFN3OS and molecular weight 463.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-8-[3-(4-fluorophenyl)sulfanylpropyl]-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-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride, 3-Ethyl-8-(3-(4-fluorophenylthio)propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane HCl, 3-Ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride, 2-ethyl-8-[3-(4-fluorophenyl)sulfanylpropyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride, 3-Ethyl-8-{3-[(4-fluorophenyl)sulfanyl]propyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one--hydrogen chloride (1/1)
| Molecular Formula | C24H31ClFN3OS |
|---|---|
| Molecular Weight | 463.19 g/mol |
| LogP | 4.8905 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.18604 |
| Heavy Atoms | 31 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 102504-72-3 |
|---|---|
| SMILES | CCN1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=C(C=C3)F)C4=CC=CC=C4.Cl |
| InChIKey | MDZFKPNXDLGZKN-UHFFFAOYSA-N |
Product Overview
1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride (CAS 102504-72-3), with molecular formula C24H31ClFN3OS and molecular weight 463.19 g/mol. IUPAC: 3-ethyl-8-[3-(4-fluorophenyl)sulfanylpropyl]-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-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride
Property Insights of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride
The XLogP value of 4.8905 indicates that 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)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 52.1 Ų, 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)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-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride has 1 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, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride?
The CAS number of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride is 102504-72-3.
What is the molecular formula of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride?
The molecular formula of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride is C24H31ClFN3OS.
What is the molecular weight of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride?
The molecular weight of 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride is 463.19 g/mol.
Where can I buy 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride?
You can request a quote for 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)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-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.