![[5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate structure](/static/products/903/90302-17-3.png)
[5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
TL;DR: [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (CAS 90302-17-3) is a chemical compound with molecular formula C15H18N3O9PS and molecular weight 447.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate|6-(Benzylsulfanyl)-2-(5-O-phosphonopentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C15H18N3O9PS |
|---|---|
| Molecular Weight | 447.05 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.05014 |
| Heavy Atoms | 29 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 90302-17-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN(C(=O)NC2=O)C3C(C(C(O3)COP(=O)(O)O)O)O |
| InChIKey | DHRXCURJGPMIMO-UHFFFAOYSA-N |
Product Overview
[5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (CAS 90302-17-3), with molecular formula C15H18N3O9PS and molecular weight 447.05 g/mol. IUPAC: [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Property Insights of [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
The XLogP value of -1.5 indicates that [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.0 Ų indicates high polarity, suggesting [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The CAS number of [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is 90302-17-3.
What is the molecular formula of [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The molecular formula of [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is C15H18N3O9PS.
What is the molecular weight of [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The molecular weight of [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is 447.05 g/mol.
Where can I buy [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
You can request a quote for [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.