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1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one
TL;DR: 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one (CAS 406485-13-0) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one
Also Known As: 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one, NCI60_022518, 4-phenyl-2,4,8-triazaspiro[4.5]decan-3-one
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 406485-13-0 |
|---|---|
| SMILES | C1CNCCC12CNC(=O)N2C3=CC=CC=C3 |
| InChIKey | JHSFHXBUCVCLEB-UHFFFAOYSA-N |
Product Overview
1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one (CAS 406485-13-0), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: 1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one.
Chemical Property Profile of 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one
Property Insights of 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-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-2-one. With a topological polar surface area (TPSA) of 44.4 Ų, 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-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-2-one has 2 hydrogen bond donor(s) and 2 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-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
The CAS number of 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one is 406485-13-0.
What is the molecular formula of 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
The molecular formula of 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one is C13H17N3O.
What is the molecular weight of 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
The molecular weight of 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one is 231.14 g/mol.
Where can I buy 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
You can request a quote for 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.