N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
TL;DR: N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide (CAS 921130-00-9) is a chemical compound with molecular formula C13H11N3O2S and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-prop-2-ynylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
Also Known As: N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide, N-{[5-(prop-2-yn-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide, F1885-0017, N-[(5-prop-2-ynylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
| Molecular Formula | C13H11N3O2S |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 1.7249 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.0572 |
| Heavy Atoms | 19 |
| Complexity | 589.43585 |
Chemical Identifiers
| CAS Number | 921130-00-9 |
|---|---|
| SMILES | C#CCSC1=NN=C(O1)CNC(=O)C2=CC=CC=C2 |
Product Overview
N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide (CAS 921130-00-9), with molecular formula C13H11N3O2S and molecular weight 273.06 g/mol. IUPAC: N-[(5-prop-2-ynylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
Chemical Property Profile of N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
Property Insights of N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
The XLogP value of 1.7249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide. Following Lipinski's Rule of Five, N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide 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 N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide?
The CAS number of N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide is 921130-00-9.
What is the molecular formula of N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide?
The molecular formula of N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide is C13H11N3O2S.
What is the molecular weight of N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide?
The molecular weight of N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide is 273.06 g/mol.
Where can I buy N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide?
You can request a quote for N-((5-(prop-2-yn-1-ylthio)-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 N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazol-2-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.