![[3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate structure](/static/products/599/59946-17-7.png)
[3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate
TL;DR: [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate (CAS 59946-17-7) is a chemical compound with molecular formula C29H29N3O11S and molecular weight 627.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate
Also Known As: [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate|6-[(E)-2-(Furan-2-yl)ethen-1-yl]-4-phenyl-3-sulfanylidene-2-(2,3,4,6-tetra-O-acetylhexopyranosyl)-3,4-dihydro-1,2,4-triazin-5(2H)-one
| Molecular Formula | C29H29N3O11S |
|---|---|
| Molecular Weight | 627.15 g/mol |
| LogP | 2.78249 |
| Topological Polar Surface Area | 167.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 627.1523 |
| Heavy Atoms | 44 |
| Complexity | 1663.5968 |
Chemical Identifiers
| CAS Number | 59946-17-7 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)N2C(=S)N(C(=O)C(=N2)/C=C/C3=CC=CO3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
[3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate (CAS 59946-17-7), with molecular formula C29H29N3O11S and molecular weight 627.15 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate
Property Insights of [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate
The XLogP value of 2.78249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate. The TPSA of 167.39 Ų indicates high polarity, suggesting [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-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-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 13 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-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate?
The CAS number of [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate is 59946-17-7.
What is the molecular formula of [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate is C29H29N3O11S.
What is the molecular weight of [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate is 627.15 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-triacetyloxy-6-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-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-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-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-[6-[(E)-2-(furan-2-yl)ethenyl]-5-oxo-4-phenyl-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.