1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-
TL;DR: 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)- (CAS 73484-49-8) is a chemical compound with molecular formula C17H12F3N3O4 and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-3-[[3-(trifluoromethyl)anilino]methyl]-1,3,4-oxadiazol-2-one
Also Known As: 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-, 5-(1,3-benzodioxol-5-yl)-3-[[3-(trifluoromethyl)anilino]methyl]-1,3,4-oxadiazol-2-one, 5-(2H-1,3-Benzodioxol-5-yl)-3-{[3-(trifluoromethyl)anilino]methyl}-1,3,4-oxadiazol-2(3H)-one, RefChem:216831
| Molecular Formula | C17H12F3N3O4 |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 3.3204 |
| Topological Polar Surface Area | 78.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.078 |
| Heavy Atoms | 27 |
| Complexity | 1042.3883 |
Chemical Identifiers
| CAS Number | 73484-49-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)O3)CNC4=CC=CC(=C4)C(F)(F)F |
Product Overview
1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)- (CAS 73484-49-8), with molecular formula C17H12F3N3O4 and molecular weight 379.08 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-3-[[3-(trifluoromethyl)anilino]methyl]-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-
Property Insights of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-
The XLogP value of 3.3204 indicates that 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)- has 1 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 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-?
The CAS number of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)- is 73484-49-8.
What is the molecular formula of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-?
The molecular formula of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)- is C17H12F3N3O4.
What is the molecular weight of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-?
The molecular weight of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)- is 379.08 g/mol.
Where can I buy 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-?
You can request a quote for 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.