氟草肟
TL;DR: 氟草肟 (CAS 119126-15-7) is a chemical compound with molecular formula C19H14ClF5N4O2 and molecular weight 460.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟草肟
1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
Also Known As: Flupoxam, Conclude, Flupoxame, Flupoxam [ISO:BSI], FLUPOXAM [ISO]
| Molecular Formula | C19H14ClF5N4O2 |
|---|---|
| Molecular Weight | 460.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.07254 |
| Heavy Atoms | 31 |
| Complexity | 621.0 |
| Melting Point | 144 - 148 °C |
Chemical Identifiers
| CAS Number | 119126-15-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2C3=CC(=C(C=C3)Cl)COCC(C(F)(F)F)(F)F)C(=O)N |
| InChIKey | AOQMRUTZEYVDIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟草肟 (CAS 119126-15-7), with molecular formula C19H14ClF5N4O2 and molecular weight 460.07 g/mol. IUPAC: 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of 氟草肟
Property Insights of 氟草肟
The XLogP value of 4.6 indicates that 氟草肟 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氟草肟. Following Lipinski's Rule of Five, 氟草肟 has 1 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 氟草肟?
The CAS number of 氟草肟 is 119126-15-7.
What is the molecular formula of 氟草肟?
The molecular formula of 氟草肟 is C19H14ClF5N4O2.
What is the molecular weight of 氟草肟?
The molecular weight of 氟草肟 is 460.07 g/mol.
Where can I buy 氟草肟?
You can request a quote for 氟草肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟草肟?
Yes, KEHONG BIO provides custom synthesis services for 氟草肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.