![9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine structure](/static/products/436/4366-18-1.png)
9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine
TL;DR: 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine (CAS 4366-18-1) is a chemical compound with molecular formula C23H24N8O11 and molecular weight 588.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-6-(6-aminopurin-9-yl)-5-(2,4-dinitroanilino)oxan-2-yl]methyl acetate
Also Known As: 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine, [3,4-diacetyloxy-6-(6-aminopurin-9-yl)-5-(2,4-dinitroanilino)oxan-2-yl]methyl acetate, 9-[3,4,6-Tri-O-acetyl-2-deoxy-2-(2,4-dinitroanilino)hexopyranosyl]-9H-purin-6-amine
| Molecular Formula | C23H24N8O11 |
|---|---|
| Molecular Weight | 588.16 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 261.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 588.15643 |
| Heavy Atoms | 42 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 4366-18-1 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)N2C=NC3=C(N=CN=C32)N)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C |
| InChIKey | DLXOWGSBNBQMMR-UHFFFAOYSA-N |
Product Overview
9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine (CAS 4366-18-1), with molecular formula C23H24N8O11 and molecular weight 588.16 g/mol. IUPAC: [3,4-diacetyloxy-6-(6-aminopurin-9-yl)-5-(2,4-dinitroanilino)oxan-2-yl]methyl acetate.
Chemical Property Profile of 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine
Property Insights of 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine. The TPSA of 261.0 Ų indicates high polarity, suggesting 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine?
The CAS number of 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine is 4366-18-1.
What is the molecular formula of 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine?
The molecular formula of 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine is C23H24N8O11.
What is the molecular weight of 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine?
The molecular weight of 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine is 588.16 g/mol.
Where can I buy 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine?
You can request a quote for 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-{3,4,6-tri-o-acetyl-2-deoxy-2-[(2,4-dinitrophenyl)amino]hexopyranosyl}-9h-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.