乙羧氟草醚
TL;DR: 乙羧氟草醚 (CAS 77501-90-7) is a chemical compound with molecular formula C18H13ClF3NO7 and molecular weight 447.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙羧氟草醚
(2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
Also Known As: Fluoroglycofen-ethyl, Fluoroglycofen, Compete, Super blazer, Fluoroglycofen ethyl ester
| Molecular Formula | C18H13ClF3NO7 |
|---|---|
| Molecular Weight | 447.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.03326 |
| Heavy Atoms | 30 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 77501-90-7 |
|---|---|
| SMILES | CCOC(=O)COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | IPPAUTOBDWNELX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙羧氟草醚 (CAS 77501-90-7), with molecular formula C18H13ClF3NO7 and molecular weight 447.03 g/mol. IUPAC: (2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate.
Chemical Property Profile of 乙羧氟草醚
Property Insights of 乙羧氟草醚
The XLogP value of 3.6 indicates that 乙羧氟草醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙羧氟草醚. Following Lipinski's Rule of Five, 乙羧氟草醚 has 0 hydrogen bond donor(s) and 10 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 乙羧氟草醚?
The CAS number of 乙羧氟草醚 is 77501-90-7.
What is the molecular formula of 乙羧氟草醚?
The molecular formula of 乙羧氟草醚 is C18H13ClF3NO7.
What is the molecular weight of 乙羧氟草醚?
The molecular weight of 乙羧氟草醚 is 447.03 g/mol.
Where can I buy 乙羧氟草醚?
You can request a quote for 乙羧氟草醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙羧氟草醚?
Yes, KEHONG BIO provides custom synthesis services for 乙羧氟草醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.