![6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one structure](/static/products/903/90302-10-6.png)
6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one
TL;DR: 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one (CAS 90302-10-6) is a chemical compound with molecular formula C16H19N3O5S2 and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one
Also Known As: 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one, 6-(Benzylsulfanyl)-5-(methylsulfanyl)-2-pentofuranosyl-1,2,4-triazin-3(2H)-one
| Molecular Formula | C16H19N3O5S2 |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.0766 |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 90302-10-6 |
|---|---|
| SMILES | CSC1=NC(=O)N(N=C1SCC2=CC=CC=C2)C3C(C(C(O3)CO)O)O |
| InChIKey | XVXKIIYTTYOLSR-UHFFFAOYSA-N |
Product Overview
6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one (CAS 90302-10-6), with molecular formula C16H19N3O5S2 and molecular weight 397.08 g/mol. IUPAC: 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one.
Chemical Property Profile of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one
Property Insights of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one. The TPSA of 166.0 Ų indicates high polarity, suggesting 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one has 3 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 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one?
The CAS number of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one is 90302-10-6.
What is the molecular formula of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one?
The molecular formula of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one is C16H19N3O5S2.
What is the molecular weight of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one?
The molecular weight of 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one is 397.08 g/mol.
Where can I buy 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one?
You can request a quote for 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.