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8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
TL;DR: 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one (CAS 974-41-4) is a chemical compound with molecular formula C20H23N3O and molecular weight 321.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: 8-benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one, 8-Benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, nsc 73400, nsc 664996, Di Propylene Glycol Methyl Ether
| Molecular Formula | C20H23N3O |
|---|---|
| Molecular Weight | 321.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.1841 |
| Heavy Atoms | 24 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 974-41-4 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4=CC=CC=C4 |
| InChIKey | QMECPMOWMNRLSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one (CAS 974-41-4), with molecular formula C20H23N3O and molecular weight 321.18 g/mol. IUPAC: 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
Property Insights of 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one. With a topological polar surface area (TPSA) of 35.6 Ų, 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one has 1 hydrogen bond donor(s) and 3 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-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one?
The CAS number of 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one is 974-41-4.
What is the molecular formula of 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one?
The molecular formula of 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one is C20H23N3O.
What is the molecular weight of 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one?
The molecular weight of 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one is 321.18 g/mol.
Where can I buy 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one?
You can request a quote for 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[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-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.