N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide
TL;DR: N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide (CAS 872620-34-3) is a chemical compound with molecular formula C12H9FN4O2S and molecular weight 292.04 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]-4-fluorobenzamide
Also Known As: N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide, F1885-0427, N-[[5-(cyanomethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide, N-({5-[(cyanomethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-4-fluorobenzamide
| Molecular Formula | C12H9FN4O2S |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 1.75438 |
| Topological Polar Surface Area | 91.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.04303 |
| Heavy Atoms | 20 |
| Complexity | 635.65204 |
Chemical Identifiers
| CAS Number | 872620-34-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCC2=NN=C(O2)SCC#N)F |
Product Overview
N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide (CAS 872620-34-3), with molecular formula C12H9FN4O2S and molecular weight 292.04 g/mol. IUPAC: N-[[5-(cyanomethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide.
Chemical Property Profile of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide
Property Insights of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide
The XLogP value of 1.75438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide. 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)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide 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)-4-fluorobenzamide?
The CAS number of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide is 872620-34-3.
What is the molecular formula of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide?
The molecular formula of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide is C12H9FN4O2S.
What is the molecular weight of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide?
The molecular weight of N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide is 292.04 g/mol.
Where can I buy N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide?
You can request a quote for N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide 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)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((5-((cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.