![{4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride structure](/static/products/3013/301324-90-3.webp)
{4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride
TL;DR: {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride (CAS 301324-90-3) is a chemical compound with molecular formula C25H21ClN3OPS and molecular weight 477.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(cyanomethylsulfanyl)-2-methyl-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphanium chloride
Also Known As: {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride, [4-(cyanomethylsulfanyl)-2-methyl-6-oxo-1H-pyrimidin-5-yl]-triphenyl-phosphanium Chloride, [4-(cyanomethylsulfanyl)-2-methyl-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphanium chloride, [4-(cyanomethylsulfanyl)-2-methyl-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphanium;chloride, {4-[(cyanomethyl)sulfanyl]-2-methyl-6-oxo-1H-pyrimidin-5-yl}triphenylphosphanium chloride
| Molecular Formula | C25H21ClN3OPS |
|---|---|
| Molecular Weight | 477.08 g/mol |
| LogP | 0.3174 |
| Topological Polar Surface Area | 69.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.08316 |
| Heavy Atoms | 32 |
| Complexity | 1178.92 |
Chemical Identifiers
| CAS Number | 301324-90-3 |
|---|---|
| SMILES | CC1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC#N.[Cl-] |
Product Overview
{4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride (CAS 301324-90-3), with molecular formula C25H21ClN3OPS and molecular weight 477.08 g/mol. IUPAC: [4-(cyanomethylsulfanyl)-2-methyl-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphanium chloride.
Chemical Property Profile of {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride
Property Insights of {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride
The XLogP value of 0.3174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride. The TPSA of 69.54 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride. Following Lipinski's Rule of Five, {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride 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 {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride?
The CAS number of {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride is 301324-90-3.
What is the molecular formula of {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride?
The molecular formula of {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride is C25H21ClN3OPS.
What is the molecular weight of {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride?
The molecular weight of {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride is 477.08 g/mol.
Where can I buy {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride?
You can request a quote for {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride?
Yes, KEHONG BIO provides custom synthesis services for {4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.