Acetophenone diethyl ketal
TL;DR: Acetophenone diethyl ketal (CAS 4316-37-4) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethoxyethylbenzene
Also Known As: Acetophenone diethyl ketal, 1,1-diethoxyethylbenzene, Acetophenone diethyl acetal, (1,1-DIETHOXYETHYL)BENZENE, 1,1-Diethoxy-1-phenylethane
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 4316-37-4 |
|---|---|
| SMILES | CCOC(C)(C1=CC=CC=C1)OCC |
| InChIKey | BWZAUXRKSMJLMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetophenone diethyl ketal (CAS 4316-37-4), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 1,1-diethoxyethylbenzene.
Chemical Property Profile of Acetophenone diethyl ketal
Property Insights of Acetophenone diethyl ketal
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone diethyl ketal. With a topological polar surface area (TPSA) of 18.5 Ų, Acetophenone diethyl ketal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone diethyl ketal has 0 hydrogen bond donor(s) and 2 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 Acetophenone diethyl ketal?
The CAS number of Acetophenone diethyl ketal is 4316-37-4.
What is the molecular formula of Acetophenone diethyl ketal?
The molecular formula of Acetophenone diethyl ketal is C12H18O2.
What is the molecular weight of Acetophenone diethyl ketal?
The molecular weight of Acetophenone diethyl ketal is 194.13 g/mol.
Where can I buy Acetophenone diethyl ketal?
You can request a quote for Acetophenone diethyl ketal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone diethyl ketal?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone diethyl ketal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.