Benzoylcarboxyperoxide phenyl ester
TL;DR: Benzoylcarboxyperoxide phenyl ester (CAS 962-16-3) is a chemical compound with molecular formula C14H10O5 and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenoxycarbonyl benzenecarboperoxoate
Also Known As: Benzoylcarboxyperoxide phenyl ester, phenoxycarbonyl benzenecarboperoxoate, {[(benzoylperoxy)carbonyl]oxy}benzene
| Molecular Formula | C14H10O5 |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.05283 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 962-16-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OOC(=O)OC2=CC=CC=C2 |
| InChIKey | WFSLLYWSMDDIAX-UHFFFAOYSA-N |
Product Overview
Benzoylcarboxyperoxide phenyl ester (CAS 962-16-3), with molecular formula C14H10O5 and molecular weight 258.05 g/mol. IUPAC: phenoxycarbonyl benzenecarboperoxoate.
Chemical Property Profile of Benzoylcarboxyperoxide phenyl ester
Property Insights of Benzoylcarboxyperoxide phenyl ester
The XLogP value of 4.1 indicates that Benzoylcarboxyperoxide phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoylcarboxyperoxide phenyl ester. Following Lipinski's Rule of Five, Benzoylcarboxyperoxide phenyl ester has 0 hydrogen bond donor(s) and 5 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 Benzoylcarboxyperoxide phenyl ester?
The CAS number of Benzoylcarboxyperoxide phenyl ester is 962-16-3.
What is the molecular formula of Benzoylcarboxyperoxide phenyl ester?
The molecular formula of Benzoylcarboxyperoxide phenyl ester is C14H10O5.
What is the molecular weight of Benzoylcarboxyperoxide phenyl ester?
The molecular weight of Benzoylcarboxyperoxide phenyl ester is 258.05 g/mol.
Where can I buy Benzoylcarboxyperoxide phenyl ester?
You can request a quote for Benzoylcarboxyperoxide phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylcarboxyperoxide phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoylcarboxyperoxide phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.