Fluchloralin
TL;DR: Fluchloralin (CAS 33245-39-5) is a chemical compound with molecular formula C12H13ClF3N3O4 and molecular weight 355.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
Also Known As: FLUCHLORALIN, Basalin, Fluchloraline, Fluchloralin [ISO], Caswell No. 460B
| Molecular Formula | C12H13ClF3N3O4 |
|---|---|
| Molecular Weight | 355.05 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.05466 |
| Heavy Atoms | 23 |
| Complexity | 403.0 |
| Melting Point | 42-43 °C |
| Solubility | In acetone, benzene, chloroform, diethyl ether, ethyl acetate >1000, cyclohexane 251, ethanol 177, olive oil 260 (all in g/kg, 20 °C) |
| Flash Point | 30 °C |
| Vapor Pressure | 3X10-5 mm Hg at 20 °C |
Chemical Identifiers
| CAS Number | 33245-39-5 |
|---|---|
| SMILES | CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | MNFMIVVPXOGUMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fluchloralin (CAS 33245-39-5), with molecular formula C12H13ClF3N3O4 and molecular weight 355.05 g/mol. IUPAC: N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline.
Chemical Property Profile of Fluchloralin
Property Insights of Fluchloralin
The XLogP value of 5.0 indicates that Fluchloralin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Fluchloralin. Following Lipinski's Rule of Five, Fluchloralin 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 Fluchloralin?
The CAS number of Fluchloralin is 33245-39-5.
What is the molecular formula of Fluchloralin?
The molecular formula of Fluchloralin is C12H13ClF3N3O4.
What is the molecular weight of Fluchloralin?
The molecular weight of Fluchloralin is 355.05 g/mol.
Where can I buy Fluchloralin?
You can request a quote for Fluchloralin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fluchloralin?
Yes, KEHONG BIO provides custom synthesis services for Fluchloralin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.