![phenethyl(phenyl)[?]trione structure](/static/products/6053/60532-36-7.webp)
phenethyl(phenyl)[?]trione
TL;DR: phenethyl(phenyl)[?]trione (CAS 60532-36-7) is a chemical compound with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-8-(2-phenylethyl)-2,4,6,8-tetrazatricyclo[5.2.2.02,6]undecane-3,5,9-trione
Also Known As: phenethyl(phenyl)[?]trione, Phenol,2,4-dimethyl-,formate, 5,8-Ethano-1H-(1,2,4)triazolo(1,2-a)(1,2,4)triazine-1,3,7(2H,8H)-trione, dihydro-2-phenyl-6-(2-phenylethyl)-, 6-phenethyl-2-phenyl-dihydro-5,8-ethano-[1,2,4]triazolo[1,2-, 5,8-Ethano-1H-[1,2,4]triazolo[1,2-a][1,2,4]triazine-1,3,7(2H,8H)-trione, dihydro-2-phenyl-6-(2-phenylethyl)-
| Molecular Formula | C21H20N4O3 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.15353 |
| Heavy Atoms | 28 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 60532-36-7 |
|---|---|
| SMILES | C1CC2N(C(=O)C1N3N2C(=O)N(C3=O)C4=CC=CC=C4)CCC5=CC=CC=C5 |
| InChIKey | FHXJACAYPLIWIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
phenethyl(phenyl)[?]trione (CAS 60532-36-7), with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol. IUPAC: 4-phenyl-8-(2-phenylethyl)-2,4,6,8-tetrazatricyclo[5.2.2.02,6]undecane-3,5,9-trione.
Chemical Property Profile of phenethyl(phenyl)[?]trione
Property Insights of phenethyl(phenyl)[?]trione
The XLogP value of 3.0 indicates that phenethyl(phenyl)[?]trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for phenethyl(phenyl)[?]trione. Following Lipinski's Rule of Five, phenethyl(phenyl)[?]trione has 0 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 phenethyl(phenyl)[?]trione?
The CAS number of phenethyl(phenyl)[?]trione is 60532-36-7.
What is the molecular formula of phenethyl(phenyl)[?]trione?
The molecular formula of phenethyl(phenyl)[?]trione is C21H20N4O3.
What is the molecular weight of phenethyl(phenyl)[?]trione?
The molecular weight of phenethyl(phenyl)[?]trione is 376.15 g/mol.
Where can I buy phenethyl(phenyl)[?]trione?
You can request a quote for phenethyl(phenyl)[?]trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenethyl(phenyl)[?]trione?
Yes, KEHONG BIO provides custom synthesis services for phenethyl(phenyl)[?]trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.