H)-trione
TL;DR: H)-trione (CAS 1173542-79-4) is a chemical compound with molecular formula C27H27N5O7 and molecular weight 533.19104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7'-[(E)-3-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-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: H)-trione, (E)-7'-(3-(1-allyl-6-hydroxy-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)-trion, 7'-[(E)-3-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-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, 7'-{(1E)-3-[4,6-dihydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydropyrimidin-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,3
Technical Specifications
| Molecular Formula | C27H27N5O7 |
| Molecular Weight | 533.19104 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 533.19104 Da |
| Heavy Atoms | 39 |
| Complexity | 1210.0 |
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)/C=C/C(=O)C4=C(N(C(=O)NC4=O)CC=C)O)N5C2CCC5)C(=O)N(C1=O)C |
| InChIKey | MKPSYMKAHVOLKY-CSKARUKUSA-N |
Chemical Property Profile of H)-trione
Property Insights of H)-trione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for H)-trione. The TPSA of 148.0 Ų indicates high polarity, suggesting H)-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H)-trione has 2 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 H)-trione?
The CAS number of H)-trione is 1173542-79-4.
What is the molecular formula of H)-trione?
The molecular formula of H)-trione is C27H27N5O7.
What is the molecular weight of H)-trione?
The molecular weight of H)-trione is 533.19104 g/mol.
Where can I buy H)-trione?
You can request a quote for H)-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for H)-trione?
Yes, CoreyChem provides custom synthesis services for H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.