5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile
TL;DR: 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile (CAS 338403-14-8) is a chemical compound with molecular formula C18H11ClFN3O and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile
Also Known As: 5-(2-anilinovinyl)-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarbonitrile, 5-(2-anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile
| Molecular Formula | C18H11ClFN3O |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | 5.08858 |
| Topological Polar Surface Area | 61.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.05746 |
| Heavy Atoms | 24 |
| Complexity | 908.93207 |
Chemical Identifiers
| CAS Number | 338403-14-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=CC2=C(C(=NO2)C3=C(C=CC=C3Cl)F)C#N |
Product Overview
5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile (CAS 338403-14-8), with molecular formula C18H11ClFN3O and molecular weight 339.06 g/mol. IUPAC: 5-(2-anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile
Property Insights of 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile
The XLogP value of 5.08858 indicates that 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile?
The CAS number of 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile is 338403-14-8.
What is the molecular formula of 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile?
The molecular formula of 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile is C18H11ClFN3O.
What is the molecular weight of 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile?
The molecular weight of 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile is 339.06 g/mol.
Where can I buy 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile?
You can request a quote for 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Anilinoethenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.