(E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide
TL;DR: (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide (CAS 872621-29-9) is a chemical compound with molecular formula C19H15F2N3O2S and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluoro-N-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
Also Known As: F1885-0619, (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide, N-({5-[(E)-3-phenyl-2-propenylthio]-1,3,4-oxadiazol-2-yl}methyl)2,6-difluorobenzamide, 2,6-difluoro-N-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
| Molecular Formula | C19H15F2N3O2S |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 4.0833 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.0853 |
| Heavy Atoms | 27 |
| Complexity | 924.88763 |
Chemical Identifiers
| CAS Number | 872621-29-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3F)F |
Product Overview
(E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide (CAS 872621-29-9), with molecular formula C19H15F2N3O2S and molecular weight 387.09 g/mol. IUPAC: 2,6-difluoro-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)-2,6-difluorobenzamide
Property Insights of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide
The XLogP value of 4.0833 indicates that (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide 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)-2,6-difluorobenzamide. Following Lipinski's Rule of Five, (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide 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)-2,6-difluorobenzamide?
The CAS number of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide is 872621-29-9.
What is the molecular formula of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide?
The molecular formula of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide is C19H15F2N3O2S.
What is the molecular weight of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide?
The molecular weight of (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide is 387.09 g/mol.
Where can I buy (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide?
You can request a quote for (E)-N-((5-(cinnamylthio)-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 (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-((5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)methyl)-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.