![4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one structure](/static/products/5994/59946-18-8.webp)
4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one
TL;DR: 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one (CAS 59946-18-8) is a chemical compound with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one
Also Known As: 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one, 2-Hexopyranosyl-4,6-diphenyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
| Molecular Formula | C21H21N3O6S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.1151 |
| Heavy Atoms | 31 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 59946-18-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=S)N(C2=O)C3=CC=CC=C3)C4C(C(C(C(O4)CO)O)O)O |
| InChIKey | ZGSBGRFLGSAMFR-UHFFFAOYSA-N |
Product Overview
4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one (CAS 59946-18-8), with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol. IUPAC: 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one.
Chemical Property Profile of 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one
Property Insights of 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one. The TPSA of 158.0 Ų indicates high polarity, suggesting 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one 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 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one?
The CAS number of 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one is 59946-18-8.
What is the molecular formula of 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one?
The molecular formula of 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one is C21H21N3O6S.
What is the molecular weight of 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one?
The molecular weight of 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one is 443.12 g/mol.
Where can I buy 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one?
You can request a quote for 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.