4-(2-Acetoxyacetyl)-1,2-phenylene diacetate
TL;DR: 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate (CAS 42529-03-3) is a chemical compound with molecular formula C14H14O7 and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-diacetyloxyphenyl)-2-oxoethyl] acetate
Also Known As: 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate, EINECS 255-871-1, [2-(3,4-diacetyloxyphenyl)-2-oxoethyl] acetate, 4-[(Acetyloxy)acetyl]-1,2-phenylene diacetate, 2-(Acetyloxy)-1-[3,4-bis(acetyloxy)phenyl]ethanone
| Molecular Formula | C14H14O7 |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 1.283 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.07394 |
| Heavy Atoms | 21 |
| Complexity | 588.98535 |
Chemical Identifiers
| CAS Number | 42529-03-3 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1=CC(=C(C=C1)OC(=O)C)OC(=O)C |
Product Overview
4-(2-Acetoxyacetyl)-1,2-phenylene diacetate (CAS 42529-03-3), with molecular formula C14H14O7 and molecular weight 294.07 g/mol. IUPAC: [2-(3,4-diacetyloxyphenyl)-2-oxoethyl] acetate.
Chemical Property Profile of 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate
Property Insights of 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate
The XLogP value of 1.283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate. Following Lipinski's Rule of Five, 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate has 0 hydrogen bond donor(s) and 7 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-(2-Acetoxyacetyl)-1,2-phenylene diacetate?
The CAS number of 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate is 42529-03-3.
What is the molecular formula of 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate?
The molecular formula of 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate is C14H14O7.
What is the molecular weight of 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate?
The molecular weight of 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate is 294.07 g/mol.
Where can I buy 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate?
You can request a quote for 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Acetoxyacetyl)-1,2-phenylene diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.