2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate
TL;DR: 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate (CAS 1265908-25-5) is a chemical compound with molecular formula C30H27N2OPS and molecular weight 494.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate
Also Known As: 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate, Phosphonium, [1,4-dihydro-4-hydroxy-2-(4-methylphenyl)-6-(methylthio)-5-pyrimidinyl]triphenyl-, inner salt
| Molecular Formula | C30H27N2OPS |
|---|---|
| Molecular Weight | 494.16 g/mol |
| LogP | 4.55742 |
| Topological Polar Surface Area | 47.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.15817 |
| Heavy Atoms | 35 |
| Complexity | 1257.4949 |
Chemical Identifiers
| CAS Number | 1265908-25-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(C(=C(N2)SC)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-] |
Product Overview
2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate (CAS 1265908-25-5), with molecular formula C30H27N2OPS and molecular weight 494.16 g/mol. IUPAC: 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate.
Chemical Property Profile of 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate
Property Insights of 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate
The XLogP value of 4.55742 indicates that 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.45 Ų, 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate has 1 hydrogen bond donor(s) and 4 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 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate?
The CAS number of 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate is 1265908-25-5.
What is the molecular formula of 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate?
The molecular formula of 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate is C30H27N2OPS.
What is the molecular weight of 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate?
The molecular weight of 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate is 494.16 g/mol.
Where can I buy 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate?
You can request a quote for 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methylphenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-1,4-dihydropyrimidin-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.