3-(Trifluoromethyl)-1,2,4-oxadiazole
TL;DR: 3-(Trifluoromethyl)-1,2,4-oxadiazole (CAS 86657-09-2) is a chemical compound with molecular formula C3HF3N2O and molecular weight 138.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)-1,2,4-oxadiazole
Also Known As: 3-(trifluoromethyl)-1,2,4-oxadiazole, NCIOpen2_001322, trifluoromethyl 1,2,4-oxadiazole, 1,2,4-Oxadiazole,3-(trifluoromethyl)-, RefChem:276044
| Molecular Formula | C3HF3N2O |
|---|---|
| Molecular Weight | 138.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.0041 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 86657-09-2 |
|---|---|
| SMILES | C1=NC(=NO1)C(F)(F)F |
| InChIKey | DZQVRXWFPZNPPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethyl)-1,2,4-oxadiazole (CAS 86657-09-2), with molecular formula C3HF3N2O and molecular weight 138.00 g/mol. IUPAC: 3-(trifluoromethyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-(Trifluoromethyl)-1,2,4-oxadiazole
Property Insights of 3-(Trifluoromethyl)-1,2,4-oxadiazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trifluoromethyl)-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 38.9 Ų, 3-(Trifluoromethyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 6 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 3-(Trifluoromethyl)-1,2,4-oxadiazole?
The CAS number of 3-(Trifluoromethyl)-1,2,4-oxadiazole is 86657-09-2.
What is the molecular formula of 3-(Trifluoromethyl)-1,2,4-oxadiazole?
The molecular formula of 3-(Trifluoromethyl)-1,2,4-oxadiazole is C3HF3N2O.
What is the molecular weight of 3-(Trifluoromethyl)-1,2,4-oxadiazole?
The molecular weight of 3-(Trifluoromethyl)-1,2,4-oxadiazole is 138.00 g/mol.
Where can I buy 3-(Trifluoromethyl)-1,2,4-oxadiazole?
You can request a quote for 3-(Trifluoromethyl)-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.