1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
TL;DR: 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one (CAS 1021-25-6) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.13716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: 1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one, Spirodecanone, SPIPERONE_met034, 1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one, 1,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl-
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H17N3O |
| Molecular Weight | 231.13716 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.13716 Da |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
| SMILES | C1CNCCC12C(=O)NCN2C3=CC=CC=C3 |
| InChIKey | HTQWGIHCFPWKAS-UHFFFAOYSA-N |
Chemical Property Profile of 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
Property Insights of 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one. With a topological polar surface area (TPSA) of 44.4 Ų, 1-Phenyl-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-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one?
The CAS number of 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one is 1021-25-6.
What is the molecular formula of 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one?
The molecular formula of 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one is C13H17N3O.
What is the molecular weight of 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one?
The molecular weight of 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one is 231.13716 g/mol.
Where can I buy 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one?
You can request a quote for 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one?
Yes, CoreyChem provides custom synthesis services for 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.