5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole
TL;DR: 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole (CAS 24806-97-1) is a chemical compound with molecular formula C13H15BrN4O9 and molecular weight 450.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate
Also Known As: 5-bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole, [3,4-diacetoxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)tetrahydrofuran-2-yl]methyl acetate, [3,4-diacetyloxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate, Acetic acid 4-acetoxy-5-acetoxymethyl-2-(5-bromo-3-nitro-[1,2,4]triazol-1-yl)-tetrahydro-furan-3-yl ester
| Molecular Formula | C13H15BrN4O9 |
|---|---|
| Molecular Weight | 450.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.00223 |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 24806-97-1 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C(=NC(=N2)[N+](=O)[O-])Br)OC(=O)C)OC(=O)C |
| InChIKey | QOBHHINIHFCPMZ-UHFFFAOYSA-N |
Product Overview
5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole (CAS 24806-97-1), with molecular formula C13H15BrN4O9 and molecular weight 450.00 g/mol. IUPAC: [3,4-diacetyloxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole
Property Insights of 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole. The TPSA of 165.0 Ų indicates high polarity, suggesting 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole?
The CAS number of 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole is 24806-97-1.
What is the molecular formula of 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole?
The molecular formula of 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole is C13H15BrN4O9.
What is the molecular weight of 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole?
The molecular weight of 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole is 450.00 g/mol.
Where can I buy 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole?
You can request a quote for 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.