![[3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate structure](/static/products/5996/59964-65-7.webp)
[3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate
TL;DR: [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate (CAS 59964-65-7) is a chemical compound with molecular formula C29H29N3O10S and molecular weight 611.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate
Also Known As: [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate|4,6-Diphenyl-3-sulfanylidene-2-(2,3,4,6-tetra-O-acetylhexopyranosyl)-3,4-dihydro-1,2,4-triazin-5(2H)-one
| Molecular Formula | C29H29N3O10S |
|---|---|
| Molecular Weight | 611.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 611.15735 |
| Heavy Atoms | 43 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 59964-65-7 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)N2C(=S)N(C(=O)C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | PPGHGPQLWSGNCF-UHFFFAOYSA-N |
Product Overview
[3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate (CAS 59964-65-7), with molecular formula C29H29N3O10S and molecular weight 611.16 g/mol. IUPAC: [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate
Property Insights of [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate. The TPSA of 182.0 Ų indicates high polarity, suggesting [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate?
The CAS number of [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate is 59964-65-7.
What is the molecular formula of [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate is C29H29N3O10S.
What is the molecular weight of [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate is 611.16 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.