2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
TL;DR: 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide (CAS 920443-19-2) is a chemical compound with molecular formula C17H12F2N4O4S and molecular weight 406.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluoro-N-[[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
Also Known As: F1885-0717, 2,6-difluoro-N-[(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide, 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide, 2,6-difluoro-N-[[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
| Molecular Formula | C17H12F2N4O4S |
|---|---|
| Molecular Weight | 406.05 g/mol |
| LogP | 3.4783 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.05472 |
| Heavy Atoms | 28 |
| Complexity | 1007.6469 |
Chemical Identifiers
| CAS Number | 920443-19-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3F)F |
Product Overview
2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide (CAS 920443-19-2), with molecular formula C17H12F2N4O4S and molecular weight 406.05 g/mol. IUPAC: 2,6-difluoro-N-[[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide.
Chemical Property Profile of 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
Property Insights of 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
The XLogP value of 3.4783 indicates that 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide. Following Lipinski's Rule of Five, 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide 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 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide?
The CAS number of 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide is 920443-19-2.
What is the molecular formula of 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide?
The molecular formula of 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide is C17H12F2N4O4S.
What is the molecular weight of 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide?
The molecular weight of 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide is 406.05 g/mol.
Where can I buy 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide?
You can request a quote for 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-difluoro-N-((5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.