N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide
TL;DR: N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide (CAS 921044-80-6) is a chemical compound with molecular formula C12H8F2N4O2S and molecular weight 310.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(cyanomethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide
Also Known As: F1885-0729, N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide, N-({5-[(cyanomethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-2,6-difluorobenzamide, N-[[5-(cyanomethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide
| Molecular Formula | C12H8F2N4O2S |
|---|---|
| Molecular Weight | 310.03 g/mol |
| LogP | 1.89348 |
| Topological Polar Surface Area | 91.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.0336 |
| Heavy Atoms | 21 |
| Complexity | 678.55615 |
Chemical Identifiers
| CAS Number | 921044-80-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)NCC2=NN=C(O2)SCC#N)F |
Product Overview
N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide (CAS 921044-80-6), with molecular formula C12H8F2N4O2S and molecular weight 310.03 g/mol. IUPAC: N-[[5-(cyanomethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide.
Chemical Property Profile of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide
Property Insights of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide
The XLogP value of 1.89348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide. The TPSA of 91.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide. Following Lipinski's Rule of Five, N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide 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 N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide?
The CAS number of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide is 921044-80-6.
What is the molecular formula of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide?
The molecular formula of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide is C12H8F2N4O2S.
What is the molecular weight of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide?
The molecular weight of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide is 310.03 g/mol.
Where can I buy N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide?
You can request a quote for N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.