![5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone] structure](/static/products/577/577997-70-7.png)
5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone]
TL;DR: 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone] (CAS 577997-70-7) is a chemical compound with molecular formula C22H22N4O4S2 and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-[(4-hydroxy-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-(4-methylphenyl)methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one
Also Known As: 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone], 2-(allylthio)-5-((2-(allylthio)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)(p-tolyl)methyl)-6-hydroxypyrimidin-4(1H)-one, 4-hydroxy-5-[(4-hydroxy-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-(4-methylphenyl)methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one, 5-{[4,6-dihydroxy-2-(prop-2-en-1-ylsulfanyl)pyrimidin-5-yl](4-methylphenyl)methyl}-6-hydroxy-2-(prop-2-en-1-ylsulfanyl)pyrimidin-4(1H)-one
| Molecular Formula | C22H22N4O4S2 |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 3.30922 |
| Topological Polar Surface Area | 131.96 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.10825 |
| Heavy Atoms | 32 |
| Complexity | 1176.7661 |
Chemical Identifiers
| CAS Number | 577997-70-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SCC=C)O)C3=C(N=C(NC3=O)SCC=C)O |
Product Overview
5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone] (CAS 577997-70-7), with molecular formula C22H22N4O4S2 and molecular weight 470.11 g/mol. IUPAC: 4-hydroxy-5-[(4-hydroxy-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-(4-methylphenyl)methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone]
Property Insights of 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone]
The XLogP value of 3.30922 indicates that 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone]. Following Lipinski's Rule of Five, 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone] has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone]?
The CAS number of 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone] is 577997-70-7.
What is the molecular formula of 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone]?
The molecular formula of 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone] is C22H22N4O4S2.
What is the molecular weight of 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone]?
The molecular weight of 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone] is 470.11 g/mol.
Where can I buy 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone]?
You can request a quote for 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone]?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-[(4-methylphenyl)methylene]bis[2-(allylthio)-6-hydroxy-4(3H)-pyrimidinone] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.