Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)-
TL;DR: Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)- (CAS 1062-15-3) is a chemical compound with molecular formula C29H30N4O and molecular weight 450.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
Also Known As: 5-26-04-00111 (Beilstein Handbook Reference), BUTYRONITRILE, 2,2-DIPHENYL-4-(4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO(4.5)DEC-8-YL)-, 2,2-Diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)butyronitrile, 8-(3-Cyano-3,3-diphenylpropyl)-1-oxo-4-phenyl-2,4,8-triaza-spiro-(4.5)-decane, 2,2-Diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]deca-8-yl)butyronitrile
| Molecular Formula | C29H30N4O |
|---|---|
| Molecular Weight | 450.24 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.24197 |
| Heavy Atoms | 34 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 1062-15-3 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | OLKPMRDEHKCJON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)- (CAS 1062-15-3), with molecular formula C29H30N4O and molecular weight 450.24 g/mol. IUPAC: 4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile.
Chemical Property Profile of Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)-
Property Insights of Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)-
The XLogP value of 4.5 indicates that Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)- has 1 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 Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)-?
The CAS number of Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)- is 1062-15-3.
What is the molecular formula of Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)-?
The molecular formula of Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)- is C29H30N4O.
What is the molecular weight of Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)-?
The molecular weight of Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)- is 450.24 g/mol.
Where can I buy Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)-?
You can request a quote for Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.