乙氧氟草醚
TL;DR: 乙氧氟草醚 (CAS 42874-03-3) is a chemical compound with molecular formula C15H11ClF3NO4 and molecular weight 361.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙氧氟草醚
2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene
Also Known As: Oxyfluorfen, Galigan, Oxyfluorofen, Koltar, Goal
| Molecular Formula | C15H11ClF3NO4 |
|---|---|
| Molecular Weight | 361.03 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.03287 |
| Heavy Atoms | 24 |
| Complexity | 432.0 |
| Melting Point | 85-90 °C (tech., 65-84 °C) |
| Boiling Point | 358.2 °C |
| Density | 1.49 g/L |
| Solubility | Readily soluble in most organic solvents, e.g. acetone 72.5, cyclohexanone, isophorone 61.5, dimethylformamide >50, chloroform 50-55, mesityl oxide 40-50 (all in g/100 g, 25 °C) |
| Vapor Pressure | 0.00000025 [mmHg] |
Chemical Identifiers
| CAS Number | 42874-03-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | OQMBBFQZGJFLBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙氧氟草醚 (CAS 42874-03-3), with molecular formula C15H11ClF3NO4 and molecular weight 361.03 g/mol. IUPAC: 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene.
Chemical Property Profile of 乙氧氟草醚
Property Insights of 乙氧氟草醚
The XLogP value of 4.7 indicates that 乙氧氟草醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙氧氟草醚. Following Lipinski's Rule of Five, 乙氧氟草醚 has 0 hydrogen bond donor(s) and 7 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 乙氧氟草醚?
The CAS number of 乙氧氟草醚 is 42874-03-3.
What is the molecular formula of 乙氧氟草醚?
The molecular formula of 乙氧氟草醚 is C15H11ClF3NO4.
What is the molecular weight of 乙氧氟草醚?
The molecular weight of 乙氧氟草醚 is 361.03 g/mol.
Where can I buy 乙氧氟草醚?
You can request a quote for 乙氧氟草醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙氧氟草醚?
Yes, KEHONG BIO provides custom synthesis services for 乙氧氟草醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.