Benzoin acetate
TL;DR: Benzoin acetate (CAS 574-06-1) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,2-diphenylethyl) acetate
Also Known As: Benzoin acetate, O-Acetylbenzoin, Benzoin, acetate, 2-Oxo-1,2-diphenylethyl acetate, Acetylbenzoin
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 574-06-1 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | QRWAIZJYJNLOPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoin acetate (CAS 574-06-1), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: (2-oxo-1,2-diphenylethyl) acetate.
Chemical Property Profile of Benzoin acetate
Property Insights of Benzoin acetate
The XLogP value of 3.2 indicates that Benzoin acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Benzoin acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoin acetate has 0 hydrogen bond donor(s) and 3 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 Benzoin acetate?
The CAS number of Benzoin acetate is 574-06-1.
What is the molecular formula of Benzoin acetate?
The molecular formula of Benzoin acetate is C16H14O3.
What is the molecular weight of Benzoin acetate?
The molecular weight of Benzoin acetate is 254.09 g/mol.
Where can I buy Benzoin acetate?
You can request a quote for Benzoin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoin acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzoin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.