5-(三氟甲基)-1,3,4-噁二唑-2-胺
TL;DR: 5-(三氟甲基)-1,3,4-噁二唑-2-胺 (CAS 1822601-94-4) is a chemical compound with molecular formula C3H2F3N3O and molecular weight 153.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(三氟甲基)-1,3,4-噁二唑-2-胺
5-(trifluoromethyl)-1,3,4-oxadiazol-2-amine
Also Known As: 5-(trifluoromethyl)-1,3,4-oxadiazol-2-amine, 2-Amino-5-(trifluoromethyl)-1,3,4-oxadiazole, Methyl Pyridazine-4-carboxylate, 5-trifluoromethyl-1,3,4-oxadiazol-2-ylamine, 9471AE
| Molecular Formula | C3H2F3N3O |
|---|---|
| Molecular Weight | 153.01 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.015 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 1822601-94-4 |
|---|---|
| SMILES | C1(=NN=C(O1)N)C(F)(F)F |
| InChIKey | VMBAPDLMDFSJBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(三氟甲基)-1,3,4-噁二唑-2-胺 (CAS 1822601-94-4), with molecular formula C3H2F3N3O and molecular weight 153.01 g/mol. IUPAC: 5-(trifluoromethyl)-1,3,4-oxadiazol-2-amine.
Chemical Property Profile of 5-(三氟甲基)-1,3,4-噁二唑-2-胺
Property Insights of 5-(三氟甲基)-1,3,4-噁二唑-2-胺
The XLogP value of -0.4 indicates that 5-(三氟甲基)-1,3,4-噁二唑-2-胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(三氟甲基)-1,3,4-噁二唑-2-胺. Following Lipinski's Rule of Five, 5-(三氟甲基)-1,3,4-噁二唑-2-胺 has 1 hydrogen bond donor(s) and 7 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-(三氟甲基)-1,3,4-噁二唑-2-胺?
The CAS number of 5-(三氟甲基)-1,3,4-噁二唑-2-胺 is 1822601-94-4.
What is the molecular formula of 5-(三氟甲基)-1,3,4-噁二唑-2-胺?
The molecular formula of 5-(三氟甲基)-1,3,4-噁二唑-2-胺 is C3H2F3N3O.
What is the molecular weight of 5-(三氟甲基)-1,3,4-噁二唑-2-胺?
The molecular weight of 5-(三氟甲基)-1,3,4-噁二唑-2-胺 is 153.01 g/mol.
Where can I buy 5-(三氟甲基)-1,3,4-噁二唑-2-胺?
You can request a quote for 5-(三氟甲基)-1,3,4-噁二唑-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(三氟甲基)-1,3,4-噁二唑-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 5-(三氟甲基)-1,3,4-噁二唑-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.