Ethyl acifluorfen
TL;DR: Ethyl acifluorfen (CAS 77207-01-3) is a chemical compound with molecular formula C16H11ClF3NO5 and molecular weight 389.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
Also Known As: Ethyl acifluorfen, Acifluorfen-ethyl, Acifluorfen ethyl, Acifluorfen, ethyl ester, ACIFLUORFEN ETHYL ESTER
| Molecular Formula | C16H11ClF3NO5 |
|---|---|
| Molecular Weight | 389.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.02777 |
| Heavy Atoms | 26 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 77207-01-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | ZXYLZOBDCIFSPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl acifluorfen (CAS 77207-01-3), with molecular formula C16H11ClF3NO5 and molecular weight 389.03 g/mol. IUPAC: ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate.
Chemical Property Profile of Ethyl acifluorfen
Property Insights of Ethyl acifluorfen
The XLogP value of 3.7 indicates that Ethyl acifluorfen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl acifluorfen. Following Lipinski's Rule of Five, Ethyl acifluorfen has 0 hydrogen bond donor(s) and 8 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 Ethyl acifluorfen?
The CAS number of Ethyl acifluorfen is 77207-01-3.
What is the molecular formula of Ethyl acifluorfen?
The molecular formula of Ethyl acifluorfen is C16H11ClF3NO5.
What is the molecular weight of Ethyl acifluorfen?
The molecular weight of Ethyl acifluorfen is 389.03 g/mol.
Where can I buy Ethyl acifluorfen?
You can request a quote for Ethyl acifluorfen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl acifluorfen?
Yes, KEHONG BIO provides custom synthesis services for Ethyl acifluorfen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.