5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate
TL;DR: 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate (CAS 85117-87-9) is a chemical compound with molecular formula C16H16O9 and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(3,4,5-triacetyloxyphenyl)ethyl] acetate
Also Known As: 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate, [2-oxo-2-(3,4,5-triacetyloxyphenyl)ethyl] acetate, 5- benzene-1,2,3-triyltriacetate, 5-[(acetyloxy)acetyl]benzene-1,2,3-triyl triacetate, 10.14272/YBPOUYKRSJRDEC-UHFFFAOYSA-N
| Molecular Formula | C16H16O9 |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 352.07944 |
| Heavy Atoms | 25 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 85117-87-9 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1=CC(=C(C(=C1)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | YBPOUYKRSJRDEC-UHFFFAOYSA-N |
Product Overview
5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate (CAS 85117-87-9), with molecular formula C16H16O9 and molecular weight 352.08 g/mol. IUPAC: [2-oxo-2-(3,4,5-triacetyloxyphenyl)ethyl] acetate.
Chemical Property Profile of 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate
Property Insights of 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate. Following Lipinski's Rule of Five, 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate 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 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate?
The CAS number of 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate is 85117-87-9.
What is the molecular formula of 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate?
The molecular formula of 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate is C16H16O9.
What is the molecular weight of 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate?
The molecular weight of 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate is 352.08 g/mol.
Where can I buy 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate?
You can request a quote for 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.