1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole
TL;DR: 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole (CAS 1322282-41-6) is a chemical compound with molecular formula C19H14N2OS and molecular weight 318.08267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-phenyl-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one
Also Known As: 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole, (2Z)-3-phenyl-1-[2-(prop-2-yn-1-ylsulfanyl)-1H-1,3-benzodiazol-1-yl]prop-2-en-1-one, (E)-3-phenyl-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C19H14N2OS |
| Molecular Weight | 318.08267 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.08267 Da |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
| SMILES | C#CCSC1=NC2=CC=CC=C2N1C(=O)/C=C/C3=CC=CC=C3 |
| InChIKey | AWYLKVSTRWMRAJ-OUKQBFOZSA-N |
Chemical Property Profile of 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole
Property Insights of 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole
The XLogP value of 4.4 indicates that 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole. Following Lipinski's Rule of Five, 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole?
The CAS number of 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole is 1322282-41-6.
What is the molecular formula of 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole?
The molecular formula of 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole is C19H14N2OS.
What is the molecular weight of 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole?
The molecular weight of 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole is 318.08267 g/mol.
Where can I buy 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole?
You can request a quote for 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole?
Yes, CoreyChem provides custom synthesis services for 1-cinnamoyl-2-(2-propyn-1-ylthio)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.