Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester
TL;DR: Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester (CAS 7717-62-6) is a chemical compound with molecular formula C24H22O4 and molecular weight 374.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-phenyl-2-(2-phenylacetyl)oxyethyl] 2-phenylacetate
Also Known As: 1-phenylethane-1,2-diyl bis(phenylacetate), Benzeneacetic acid, 1-phenyl-1,2-ethanediyl ester, Acetic acid, phenyl-, phenylethylene ester, Benzeneaceticacid,1-phenyl-1,2-ethanediylester, Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester
| Molecular Formula | C24H22O4 |
|---|---|
| Molecular Weight | 374.15 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 374.1518 |
| Heavy Atoms | 28 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 7717-62-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OCC(C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3 |
| InChIKey | LLKYFSIQIWRHPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester (CAS 7717-62-6), with molecular formula C24H22O4 and molecular weight 374.15 g/mol. IUPAC: [2-phenyl-2-(2-phenylacetyl)oxyethyl] 2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester
Property Insights of Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester
The XLogP value of 4.7 indicates that Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester has 0 hydrogen bond donor(s) and 4 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 Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester?
The CAS number of Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester is 7717-62-6.
What is the molecular formula of Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester?
The molecular formula of Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester is C24H22O4.
What is the molecular weight of Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester?
The molecular weight of Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester is 374.15 g/mol.
Where can I buy Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester?
You can request a quote for Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.