1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one
TL;DR: 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one (CAS 58012-16-1) is a chemical compound with molecular formula C13H16FN3O and molecular weight 249.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: 1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one, dimethylcyclohexane-1,2-dicarboxylate, 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4,5)decan-4-one, 1- -1,3,8-triazaspiro[4,5]decan-4-one, 1-(4-fluorophenyl)-1,3,8-triazaspiro[4,5]decan-4-one
| Molecular Formula | C13H16FN3O |
|---|---|
| Molecular Weight | 249.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.12775 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 58012-16-1 |
|---|---|
| SMILES | C1CNCCC12C(=O)NCN2C3=CC=C(C=C3)F |
| InChIKey | BEEPXSBZGLKIOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one (CAS 58012-16-1), with molecular formula C13H16FN3O and molecular weight 249.13 g/mol. IUPAC: 1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one
Property Insights of 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one. With a topological polar surface area (TPSA) of 44.4 Ų, 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one has 2 hydrogen bond donor(s) and 4 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-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one?
The CAS number of 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one is 58012-16-1.
What is the molecular formula of 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one?
The molecular formula of 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one is C13H16FN3O.
What is the molecular weight of 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one?
The molecular weight of 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one is 249.13 g/mol.
Where can I buy 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one?
You can request a quote for 1-(4-Fluorophenyl)-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 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.