![[3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate structure](/static/products/807/80792-01-4.png)
[3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate
TL;DR: [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate (CAS 80792-01-4) is a chemical compound with molecular formula C17H22BrN3O9 and molecular weight 491.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate
Also Known As: [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate|5-(Bromomethyl)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1H-1,2,4-triazole
| Molecular Formula | C17H22BrN3O9 |
|---|---|
| Molecular Weight | 491.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 491.05396 |
| Heavy Atoms | 30 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 80792-01-4 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)N2C(=NC=N2)CBr)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | HKKIXIBVQZHOTI-UHFFFAOYSA-N |
Product Overview
[3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate (CAS 80792-01-4), with molecular formula C17H22BrN3O9 and molecular weight 491.05 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate
Property Insights of [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate. The TPSA of 145.0 Ų indicates high polarity, suggesting [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]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-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate 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 [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate?
The CAS number of [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate is 80792-01-4.
What is the molecular formula of [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate is C17H22BrN3O9.
What is the molecular weight of [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate is 491.05 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]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-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.