'H)-dione
TL;DR: 'H)-dione (CAS 892613-30-8) is a chemical compound with molecular formula C24H27N7O5S and molecular weight 525.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8'-[(6-hydroxy-4-oxo-1-propan-2-yl-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: 'H)-dione, (Z)-8-(((1-isopropyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, (5Z)-5-{[(2',6'-dihydroxy-3-methyl-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-1-(propan-2-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, 8'-[(4,6-dioxo-1-propan-2-yl-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 8'-[[(Z)-(4,6-dioxo-1-propan-2-yl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
| Molecular Formula | C24H27N7O5S |
|---|---|
| Molecular Weight | 525.18 g/mol |
| LogP | 0.97189 |
| Topological Polar Surface Area | 152.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 525.17944 |
| Heavy Atoms | 37 |
| Complexity | 1456.8069 |
Chemical Identifiers
| CAS Number | 892613-30-8 |
|---|---|
| SMILES | CC(C)N1C(=C(C(=O)NC1=S)C=NC2=CC3=C(C=C2)N4CCN(CC4C5(C3)C(=O)NC(=O)NC5=O)C)O |
Product Overview
'H)-dione (CAS 892613-30-8), with molecular formula C24H27N7O5S and molecular weight 525.18 g/mol. IUPAC: 8'-[(6-hydroxy-4-oxo-1-propan-2-yl-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of 'H)-dione
Property Insights of 'H)-dione
The XLogP value of 0.97189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 'H)-dione. The TPSA of 152.13 Ų indicates high polarity, suggesting 'H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 'H)-dione has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 'H)-dione?
The CAS number of 'H)-dione is 892613-30-8.
What is the molecular formula of 'H)-dione?
The molecular formula of 'H)-dione is C24H27N7O5S.
What is the molecular weight of 'H)-dione?
The molecular weight of 'H)-dione is 525.18 g/mol.
Where can I buy 'H)-dione?
You can request a quote for 'H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 'H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 'H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.