trione
TL;DR: trione (CAS 903454-68-2) is a chemical compound with molecular formula C25H28N6O5S and molecular weight 524.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7'-[(6-hydroxy-4-oxo-1-propan-2-yl-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
Also Known As: trione, (E)-7'-(((1-isopropyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione, 7'-({(E)-[4,6-dioxo-1-(propan-2-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-, 7'-[(4,6-dioxo-1-propan-2-yl-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
| Molecular Formula | C25H28N6O5S |
|---|---|
| Molecular Weight | 524.18 g/mol |
| LogP | 2.50469 |
| Topological Polar Surface Area | 131.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 524.1842 |
| Heavy Atoms | 37 |
| Complexity | 1467.3655 |
Chemical Identifiers
| CAS Number | 903454-68-2 |
|---|---|
| SMILES | CC(C)N1C(=C(C(=O)NC1=S)C=NC2=CC3=C(C=C2)N4CCCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)O |
Product Overview
trione (CAS 903454-68-2), with molecular formula C25H28N6O5S and molecular weight 524.18 g/mol. IUPAC: 7'-[(6-hydroxy-4-oxo-1-propan-2-yl-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of trione
Property Insights of trione
The XLogP value of 2.50469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trione. The TPSA of 131.31 Ų falls within the moderate polarity range, balancing permeability and solubility for trione. Following Lipinski's Rule of Five, trione has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of trione?
The CAS number of trione is 903454-68-2.
What is the molecular formula of trione?
The molecular formula of trione is C25H28N6O5S.
What is the molecular weight of trione?
The molecular weight of trione is 524.18 g/mol.
Where can I buy trione?
You can request a quote for trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trione?
Yes, KEHONG BIO provides custom synthesis services for trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.