![[3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate structure](/static/products/6487/6487-92-9.webp)
[3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate
TL;DR: [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate (CAS 6487-92-9) is a chemical compound with molecular formula C21H25N3O11S and molecular weight 527.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate
Also Known As: [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate|2,3,4,6-Tetra-O-acetyl-N-[(2-nitrophenyl)carbamothioyl]hexopyranosylamine|[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2-nitrophenyl)thiocarbamoylamino]oxan-4-yl] Acetate|3,5-diacetyloxy-6-(acetyloxymethyl)-2-({[(2-nitrophenyl)amino]thioxomethyl}ami no)-2H-3,4,5,6-tetrahydropyran-4-yl acetate
| Molecular Formula | C21H25N3O11S |
|---|---|
| Molecular Weight | 527.12 g/mol |
| LogP | 0.9643 |
| Topological Polar Surface Area | 181.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.121 |
| Heavy Atoms | 36 |
| Complexity | 1034.1156 |
Chemical Identifiers
| CAS Number | 6487-92-9 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
[3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate (CAS 6487-92-9), with molecular formula C21H25N3O11S and molecular weight 527.12 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate
Property Insights of [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate
The XLogP value of 0.9643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate. The TPSA of 181.63 Ų indicates high polarity, suggesting [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]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-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate has 2 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-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate?
The CAS number of [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate is 6487-92-9.
What is the molecular formula of [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate is C21H25N3O11S.
What is the molecular weight of [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate is 527.12 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]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-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.