2-(4-Chlorophenyl)-2-oxoethyl acetate
TL;DR: 2-(4-Chlorophenyl)-2-oxoethyl acetate (CAS 39561-82-5) is a chemical compound with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] acetate
Also Known As: 2-(4-Chlorophenyl)-2-oxoethyl acetate, 4-chlorophenacyl acetate, chlorophenyloxoethylacetate, [2-(4-chlorophenyl)-2-oxoethyl] acetate, 2-Acetoxy-4'-chloroacetophenone
| Molecular Formula | C10H9ClO3 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.02402 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 39561-82-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | FTUYTARZCNUSDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)-2-oxoethyl acetate (CAS 39561-82-5), with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] acetate.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-oxoethyl acetate
Property Insights of 2-(4-Chlorophenyl)-2-oxoethyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-2-oxoethyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 2-(4-Chlorophenyl)-2-oxoethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-oxoethyl 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 2-(4-Chlorophenyl)-2-oxoethyl acetate?
The CAS number of 2-(4-Chlorophenyl)-2-oxoethyl acetate is 39561-82-5.
What is the molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl acetate?
The molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl acetate is C10H9ClO3.
What is the molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl acetate?
The molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl acetate is 212.02 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-oxoethyl acetate?
You can request a quote for 2-(4-Chlorophenyl)-2-oxoethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-2-oxoethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-oxoethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.