(+-)-Acetofenate
TL;DR: (+-)-Acetofenate (CAS 21757-82-4) is a chemical compound with molecular formula C10H7Cl5O2 and molecular weight 333.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate
Also Known As: Plifenate, Plifenat, Acetofenate, Penfenate, Baygon MEB
| Molecular Formula | C10H7Cl5O2 |
|---|---|
| Molecular Weight | 333.89 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.88593 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 21757-82-4 |
|---|---|
| SMILES | CC(=O)OC(C1=CC(=C(C=C1)Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | FSGNOVKGEXRRHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+-)-Acetofenate (CAS 21757-82-4), with molecular formula C10H7Cl5O2 and molecular weight 333.89 g/mol. IUPAC: [2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate.
Chemical Property Profile of (+-)-Acetofenate
Property Insights of (+-)-Acetofenate
The XLogP value of 4.8 indicates that (+-)-Acetofenate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (+-)-Acetofenate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-Acetofenate 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 (+-)-Acetofenate?
The CAS number of (+-)-Acetofenate is 21757-82-4.
What is the molecular formula of (+-)-Acetofenate?
The molecular formula of (+-)-Acetofenate is C10H7Cl5O2.
What is the molecular weight of (+-)-Acetofenate?
The molecular weight of (+-)-Acetofenate is 333.89 g/mol.
Where can I buy (+-)-Acetofenate?
You can request a quote for (+-)-Acetofenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-Acetofenate?
Yes, KEHONG BIO provides custom synthesis services for (+-)-Acetofenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.