![[4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate structure](/static/products/7404/7404-34-4.webp)
[4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate
TL;DR: [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate (CAS 7404-34-4) is a chemical compound with molecular formula C14H19BrO9 and molecular weight 410.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate
Also Known As: [4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate|.alpha.-D-Glucopyranose, tetraacetate|1,2,3,4-Tetra-O-acetyl-6-bromo-6-deoxyhexopyranose|.alpha.-D-Glucopyranose, 6-bromo-6-deoxy-, tetraacetate
| Molecular Formula | C14H19BrO9 |
|---|---|
| Molecular Weight | 410.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.02124 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 7404-34-4 |
|---|---|
| SMILES | CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)CBr |
| InChIKey | VJAPWODGPODCIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate (CAS 7404-34-4), with molecular formula C14H19BrO9 and molecular weight 410.02 g/mol. IUPAC: [4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate.
Chemical Property Profile of [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate
Property Insights of [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate. Following Lipinski's Rule of Five, [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate?
The CAS number of [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate is 7404-34-4.
What is the molecular formula of [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate?
The molecular formula of [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate is C14H19BrO9.
What is the molecular weight of [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate?
The molecular weight of [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate is 410.02 g/mol.
Where can I buy [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate?
You can request a quote for [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4,5,6-Triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.