8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one
TL;DR: 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one (CAS 1053-15-2) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-oxo-4-thiophen-2-ylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: 5-26-04-00113 (Beilstein Handbook Reference), 1,3,8-Triazaspiro(4.5)decan-4-one, 1-phenyl-8-(3-(2-thenoyl)propyl)-, 1-Phenyl-8-(3-(2-thenoyl)propyl)-1,3,8-triazaspiro(4.5)decan-4-one, 4-Oxo-8-(4-oxo-4-(2-thienyl)-butyl-)-1-phenyl-1,3,8-triazasprio(4.5)decane, 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 1053-15-2 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=CS4 |
| InChIKey | GGPNVJSQHATEIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one (CAS 1053-15-2), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: 8-(4-oxo-4-thiophen-2-ylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one
Property Insights of 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one. Following Lipinski's Rule of Five, 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one 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 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one?
The CAS number of 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one is 1053-15-2.
What is the molecular formula of 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one?
The molecular formula of 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one is C21H25N3O2S.
What is the molecular weight of 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one?
The molecular weight of 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one is 383.17 g/mol.
Where can I buy 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one?
You can request a quote for 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.