3H)-trione
TL;DR: 3H)-trione (CAS 1173522-58-1) is a chemical compound with molecular formula C26H27N5O7 and molecular weight 521.19104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7'-[(E)-3-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxoprop-1-enyl]-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, 3H)-trione, (E)-7'-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-, 7'-[(1E)-3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl]-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,, 7'-[(E)-3-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxoprop-1-enyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
Technical Specifications
| Molecular Formula | C26H27N5O7 |
| Molecular Weight | 521.19104 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 521.19104 Da |
| Heavy Atoms | 38 |
| Complexity | 1180.0 |
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C(=O)/C=C/C2=CC3=C(C=C2)N4CCCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)O |
| InChIKey | AKXRJEAGCDCREO-CSKARUKUSA-N |
Chemical Property Profile of 3H)-trione
Property Insights of 3H)-trione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H)-trione. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H)-trione. Following Lipinski's Rule of Five, 3H)-trione has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3H)-trione?
The CAS number of 3H)-trione is 1173522-58-1.
What is the molecular formula of 3H)-trione?
The molecular formula of 3H)-trione is C26H27N5O7.
What is the molecular weight of 3H)-trione?
The molecular weight of 3H)-trione is 521.19104 g/mol.
Where can I buy 3H)-trione?
You can request a quote for 3H)-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H)-trione?
Yes, CoreyChem provides custom synthesis services for 3H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.