![[3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate structure](/static/products/3254/3254-07-7.webp)
[3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate
TL;DR: [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate (CAS 3254-07-7) is a chemical compound with molecular formula C20H22N2O13S and molecular weight 530.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate
Also Known As: [3,4,5-triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate|2,4-Dinitrophenyl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside
| Molecular Formula | C20H22N2O13S |
|---|---|
| Molecular Weight | 530.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 530.0843 |
| Heavy Atoms | 36 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 3254-07-7 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | NYFFWBCKCKTTIJ-UHFFFAOYSA-N |
Product Overview
[3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate (CAS 3254-07-7), with molecular formula C20H22N2O13S and molecular weight 530.08 g/mol. IUPAC: [3,4,5-triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate
Property Insights of [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate. The TPSA of 231.0 Ų indicates high polarity, suggesting [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 14 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-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate?
The CAS number of [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate is 3254-07-7.
What is the molecular formula of [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate is C20H22N2O13S.
What is the molecular weight of [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate is 530.08 g/mol.
Where can I buy [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-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-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-Triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.