5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL
TL;DR: 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL (CAS 82476-06-0) is a chemical compound with molecular formula C3HF3N2O2 and molecular weight 154.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trifluoromethyl)-3H-1,3,4-oxadiazol-2-one
Also Known As: 5-(TRIFLUOROMETHYL)-1,3,4-OXADIAZOL-2-OL, 5-(trifluoromethyl)-3H-1,3,4-oxadiazol-2-one, 5-(trifluoromethyl)-1,3,4-oxadiazol-2(3h)-one, 1,3,4-Oxadiazol-2(3H)-one, 5-(trifluoromethyl)-, 5-Trifluoromethyl-[1,3,4]oxadiazol-2-ol
| Molecular Formula | C3HF3N2O2 |
|---|---|
| Molecular Weight | 154.00 g/mol |
| LogP | 0.3817 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.99901 |
| Heavy Atoms | 10 |
| Complexity | 271.76544 |
Chemical Identifiers
| CAS Number | 82476-06-0 |
|---|---|
| SMILES | C1(=NNC(=O)O1)C(F)(F)F |
Product Overview
5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL (CAS 82476-06-0), with molecular formula C3HF3N2O2 and molecular weight 154.00 g/mol. IUPAC: 5-(trifluoromethyl)-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL
Property Insights of 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL
The XLogP value of 0.3817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL. With a topological polar surface area (TPSA) of 58.89 Ų, 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL has 1 hydrogen bond donor(s) and 3 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 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL?
The CAS number of 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL is 82476-06-0.
What is the molecular formula of 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL?
The molecular formula of 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL is C3HF3N2O2.
What is the molecular weight of 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL?
The molecular weight of 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL is 154.00 g/mol.
Where can I buy 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL?
You can request a quote for 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL?
Yes, KEHONG BIO provides custom synthesis services for 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.