![1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose structure](/static/products/790/79029-98-4.png)
1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose
TL;DR: 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose (CAS 79029-98-4) is a chemical compound with molecular formula C20H23N3O13 and molecular weight 513.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,6-triacetyloxy-5-(2,4-dinitroanilino)oxan-2-yl]methyl acetate
Also Known As: cis-Cyclodec-3-en-1-on, KST-1B8620, 1,3,4,6-tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose, [3,4,6-triacetyloxy-5-(2,4-dinitroanilino)oxan-2-yl]methyl acetate, 1,3,4,6-Tetra-O-acetyl-2-deoxy-2-(2,4-dinitroanilino)hexopyranose
| Molecular Formula | C20H23N3O13 |
|---|---|
| Molecular Weight | 513.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 513.1231 |
| Heavy Atoms | 36 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 79029-98-4 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C |
| InChIKey | CYMLXWNEXSIMJH-UHFFFAOYSA-N |
Product Overview
1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose (CAS 79029-98-4), with molecular formula C20H23N3O13 and molecular weight 513.12 g/mol. IUPAC: [3,4,6-triacetyloxy-5-(2,4-dinitroanilino)oxan-2-yl]methyl acetate.
Chemical Property Profile of 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose
Property Insights of 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose. The TPSA of 218.0 Ų indicates high polarity, suggesting 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose has 1 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 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose?
The CAS number of 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose is 79029-98-4.
What is the molecular formula of 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose?
The molecular formula of 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose is C20H23N3O13.
What is the molecular weight of 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose?
The molecular weight of 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose is 513.12 g/mol.
Where can I buy 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose?
You can request a quote for 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,6-Tetra-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.