(2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate
TL;DR: (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate (CAS 87874-94-0) is a chemical compound with molecular formula C17H23BrO11 and molecular weight 482.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5-tetraacetyloxy-7-bromo-6-oxoheptyl) acetate
Also Known As: (2,3,4,5-tetraacetyloxy-7-bromo-6-oxoheptyl) acetate, 3,4,5,6,7-penta-O-acetyl-1-bromo-1-deoxyhept-2-ulose, [(2R,3S,4S,5R)-2,3,4,5-tetraacetyloxy-7-bromo-6-oxoheptyl] acetate
| Molecular Formula | C17H23BrO11 |
|---|---|
| Molecular Weight | 482.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 482.04236 |
| Heavy Atoms | 29 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 87874-94-0 |
|---|---|
| SMILES | CC(=O)OCC(C(C(C(C(=O)CBr)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | VIENFCVYAAHIBZ-UHFFFAOYSA-N |
Product Overview
(2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate (CAS 87874-94-0), with molecular formula C17H23BrO11 and molecular weight 482.04 g/mol. IUPAC: (2,3,4,5-tetraacetyloxy-7-bromo-6-oxoheptyl) acetate.
Chemical Property Profile of (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate
Property Insights of (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate. The TPSA of 149.0 Ų indicates high polarity, suggesting (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) 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 (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate?
The CAS number of (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate is 87874-94-0.
What is the molecular formula of (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate?
The molecular formula of (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate is C17H23BrO11.
What is the molecular weight of (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate?
The molecular weight of (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate is 482.04 g/mol.
Where can I buy (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate?
You can request a quote for (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2,3,4,5-Tetraacetyloxy-7-bromo-6-oxoheptyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.