![phenyl[?]trione structure](/static/products/815/81549-30-6.png)
phenyl[?]trione
TL;DR: phenyl[?]trione (CAS 81549-30-6) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-2,4,6-triazatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione
Also Known As: phenyl[?]trione, 5,8-Etheno-1H-cyclobuta(d)(1,2,4)triazolo(1,2-a)pyridazine-1,3,6(2H,7H)-trione, 5,5a,7a,8-tetrahydro-2-phenyl-, 3-oxo-N-phenyl-7,8-diazatricyclodec-9-ene-7,8-dicarboximide, 5,2,4]triazolo[1,2-a]pyridazine- 1,3,6(2H,7H)-trione, 5,5a,7a,8-tetrahydro-2-phenyl-, 2-Phenyltetrahydro-1H-5,8-ethenocyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3,6(2H,7H)-trione
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 81549-30-6 |
|---|---|
| SMILES | C1C2C3C=CC(C2C1=O)N4N3C(=O)N(C4=O)C5=CC=CC=C5 |
| InChIKey | SKOGYCZZFPFRIW-UHFFFAOYSA-N |
Product Overview
phenyl[?]trione (CAS 81549-30-6), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: 4-phenyl-2,4,6-triazatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione.
Chemical Property Profile of phenyl[?]trione
Property Insights of phenyl[?]trione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl[?]trione. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for phenyl[?]trione. Following Lipinski's Rule of Five, 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 phenyl[?]trione?
The CAS number of phenyl[?]trione is 81549-30-6.
What is the molecular formula of phenyl[?]trione?
The molecular formula of phenyl[?]trione is C16H13N3O3.
What is the molecular weight of phenyl[?]trione?
The molecular weight of phenyl[?]trione is 295.10 g/mol.
Where can I buy phenyl[?]trione?
You can request a quote for phenyl[?]trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenyl[?]trione?
Yes, KEHONG BIO provides custom synthesis services for phenyl[?]trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.