1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-
TL;DR: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl- (CAS 2262-67-1) is a chemical compound with molecular formula C22H26FN3OS and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[3-(4-fluorophenyl)sulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: NCI60_022699, 5-26-04-00106 (Beilstein Handbook Reference), 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-, 4-Oxo-8-(3-(4-fluorophenylthio)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decane, 8-[3-(4-fluorophenyl)sulfanylpropyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
| Molecular Formula | C22H26FN3OS |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.17807 |
| Heavy Atoms | 28 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 2262-67-1 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCSC4=CC=C(C=C4)F |
| InChIKey | FRWHAGPZSVSWSM-UHFFFAOYSA-N |
Product Overview
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl- (CAS 2262-67-1), with molecular formula C22H26FN3OS and molecular weight 399.18 g/mol. IUPAC: 8-[3-(4-fluorophenyl)sulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-
Property Insights of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-
The XLogP value of 3.9 indicates that 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-. Following Lipinski's Rule of Five, 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl- 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, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-?
The CAS number of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl- is 2262-67-1.
What is the molecular formula of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-?
The molecular formula of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl- is C22H26FN3OS.
What is the molecular weight of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-?
The molecular weight of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl- is 399.18 g/mol.
Where can I buy 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-?
You can request a quote for 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl- 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-(p-fluorophenylthio)propyl)-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.