氟噻草胺
TL;DR: 氟噻草胺 (CAS 142459-58-3) is a chemical compound with molecular formula C14H13F4N3O2S and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟噻草胺
N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
Also Known As: Flufenacet, Fluthiamide, Thiafluamide, Fluthiamid, Flufenacet [ISO]
| Molecular Formula | C14H13F4N3O2S |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.06647 |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
| Melting Point | 76-79 °C |
| Boiling Point | Decomposes |
| Density | 1.312 g/mL |
| Solubility | Solubility in organic solvents (g/L at 20 °C): n-hexane - 8.7; toluene - >200; dichloromethane - >200; 2-propanol - 170; 1-octanol - 88; polyethylene glycol - 74; acetone - >200; dimethylformamide - >200; acetonitrile - >200; dimethylsulfoxide - >200 |
| Vapor Pressure | 0.00000067 [mmHg] |
Chemical Identifiers
| CAS Number | 142459-58-3 |
|---|---|
| SMILES | CC(C)N(C1=CC=C(C=C1)F)C(=O)COC2=NN=C(S2)C(F)(F)F |
| InChIKey | IANUJLZYFUDJIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟噻草胺 (CAS 142459-58-3), with molecular formula C14H13F4N3O2S and molecular weight 363.07 g/mol. IUPAC: N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide.
Chemical Property Profile of 氟噻草胺
Property Insights of 氟噻草胺
The XLogP value of 3.6 indicates that 氟噻草胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 氟噻草胺. Following Lipinski's Rule of Five, 氟噻草胺 has 0 hydrogen bond donor(s) and 9 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 氟噻草胺?
The CAS number of 氟噻草胺 is 142459-58-3.
What is the molecular formula of 氟噻草胺?
The molecular formula of 氟噻草胺 is C14H13F4N3O2S.
What is the molecular weight of 氟噻草胺?
The molecular weight of 氟噻草胺 is 363.07 g/mol.
Where can I buy 氟噻草胺?
You can request a quote for 氟噻草胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟噻草胺?
Yes, KEHONG BIO provides custom synthesis services for 氟噻草胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.