2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole
TL;DR: 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole (CAS 373375-80-5) is a chemical compound with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxy-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanone
Also Known As: 2-(ALLYLTHIO)-1-(PHENOXYACETYL)-1H-BENZIMIDAZOLE, 1-(2-(Allylthio)-1H-benzo[d]imidazol-1-yl)-2-phenoxyethanone, 2-phenoxy-1-(2-prop-2-enylthiobenzimidazolyl)ethan-1-one, 2-phenoxy-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanone, 2-phenoxy-1-[2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazol-1-yl]ethanone
| Molecular Formula | C18H16N2O2S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 4.0336 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.09326 |
| Heavy Atoms | 23 |
| Complexity | 827.4137 |
Chemical Identifiers
| CAS Number | 373375-80-5 |
|---|---|
| SMILES | C=CCSC1=NC2=CC=CC=C2N1C(=O)COC3=CC=CC=C3 |
Product Overview
2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole (CAS 373375-80-5), with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol. IUPAC: 2-phenoxy-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanone.
Chemical Property Profile of 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole
Property Insights of 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole
The XLogP value of 4.0336 indicates that 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole has 0 hydrogen bond donor(s) and 4 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 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole?
The CAS number of 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole is 373375-80-5.
What is the molecular formula of 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole?
The molecular formula of 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole is C18H16N2O2S.
What is the molecular weight of 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole?
The molecular weight of 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole is 324.09 g/mol.
Where can I buy 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole?
You can request a quote for 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylthio)-1-(phenoxyacetyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.