H)-trione
TL;DR: H)-trione (CAS 902009-67-0) is a chemical compound with molecular formula C25H26N6O5S and molecular weight 522.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7'-[(6-hydroxy-4-oxo-1-prop-2-enyl-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: H)-trione, (Z)-7'-(((1-allyl-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'-({(Z)-[4,6-dioxo-1-(prop-2-en-1-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,3, 7'-[(4,6-dioxo-1-prop-2-enyl-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 | C25H26N6O5S |
|---|---|
| Molecular Weight | 522.17 g/mol |
| LogP | 2.10979 |
| Topological Polar Surface Area | 131.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 522.1685 |
| Heavy Atoms | 37 |
| Complexity | 1483.8656 |
Chemical Identifiers
| CAS Number | 902009-67-0 |
|---|---|
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)N=CC4=C(N(C(=S)NC4=O)CC=C)O)N5C2CCC5)C(=O)N(C1=O)C |
Product Overview
H)-trione (CAS 902009-67-0), with molecular formula C25H26N6O5S and molecular weight 522.17 g/mol. IUPAC: 7'-[(6-hydroxy-4-oxo-1-prop-2-enyl-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 H)-trione
Property Insights of H)-trione
The XLogP value of 2.10979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for H)-trione. The TPSA of 131.31 Ų falls within the moderate polarity range, balancing permeability and solubility for H)-trione. 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
Frequently Asked Questions
What is the CAS number of H)-trione?
The CAS number of H)-trione is 902009-67-0.
What is the molecular formula of H)-trione?
The molecular formula of H)-trione is C25H26N6O5S.
What is the molecular weight of H)-trione?
The molecular weight of H)-trione is 522.17 g/mol.
Where can I buy H)-trione?
You can request a quote for H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for H)-trione?
Yes, KEHONG BIO provides custom synthesis services for H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.