(E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide
TL;DR: (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide (CAS 872613-85-9) is a chemical compound with molecular formula C19H16FN3O2S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
Also Known As: F1885-0317, (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide, 4-fluoro-N-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide, 4-fluoro-N-[(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide, N-({5-[(E)-3-phenyl-2-propenylthio]-1,3,4-oxadiazol-2-yl}methyl)p-fluorobenzamide
| Molecular Formula | C19H16FN3O2S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 3.9442 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.09473 |
| Heavy Atoms | 26 |
| Complexity | 879.3146 |
Chemical Identifiers
| CAS Number | 872613-85-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)F |
Product Overview
(E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide (CAS 872613-85-9), with molecular formula C19H16FN3O2S and molecular weight 369.09 g/mol. IUPAC: 4-fluoro-N-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
Chemical Property Profile of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide
Property Insights of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide
The XLogP value of 3.9442 indicates that (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide. Following Lipinski's Rule of Five, (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide has 1 hydrogen bond donor(s) and 5 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 (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide?
The CAS number of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide is 872613-85-9.
What is the molecular formula of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide?
The molecular formula of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide is C19H16FN3O2S.
What is the molecular weight of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide?
The molecular weight of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide is 369.09 g/mol.
Where can I buy (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide?
You can request a quote for (E)-N-((5-(cinnamylthio)-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 (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.