![3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole structure](/static/products/6855/685505-07-1.webp)
3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole
TL;DR: 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole (CAS 685505-07-1) is a chemical compound with molecular formula C18H10F6N2O2 and molecular weight 400.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,5-bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
Also Known As: 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole, BRD-K07227838-001-02-1, 3-[3,5-bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole, 3-(3,5-bis(trifluoromethyl)phenyl)-5-(2,3-dihydrobenzofuran-5-yl)-1,2,4-oxadiazole
| Molecular Formula | C18H10F6N2O2 |
|---|---|
| Molecular Weight | 400.06 g/mol |
| LogP | 5.3761 |
| Topological Polar Surface Area | 48.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.06464 |
| Heavy Atoms | 28 |
| Complexity | 1007.0356 |
Chemical Identifiers
| CAS Number | 685505-07-1 |
|---|---|
| SMILES | C1COC2=C1C=C(C=C2)C3=NC(=NO3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F |
Product Overview
3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole (CAS 685505-07-1), with molecular formula C18H10F6N2O2 and molecular weight 400.06 g/mol. IUPAC: 3-[3,5-bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole
Property Insights of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole
The XLogP value of 5.3761 indicates that 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.15 Ų, 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole has 0 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 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole?
The CAS number of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole is 685505-07-1.
What is the molecular formula of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole?
The molecular formula of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole is C18H10F6N2O2.
What is the molecular weight of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole?
The molecular weight of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole is 400.06 g/mol.
Where can I buy 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole?
You can request a quote for 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-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-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-5-benzofuranyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.