2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone
TL;DR: 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone (CAS 302929-97-1) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
Also Known As: 2-[(5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio]-1-phenylethanone, Ethanone, 2-(5-methoxy-1-methyl-2-benzimidazolyl)thio-1-phenyl-, 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone, 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone, 2-[(5-Methoxy-1-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-phenylethan-1-one
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 302929-97-1 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)OC)N=C1SCC(=O)C3=CC=CC=C3 |
| InChIKey | GBLIMXOJGGWMEW-UHFFFAOYSA-N |
Product Overview
2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone (CAS 302929-97-1), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone.
Chemical Property Profile of 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone
Property Insights of 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone
The XLogP value of 3.5 indicates that 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone. Following Lipinski's Rule of Five, 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone 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-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone?
The CAS number of 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone is 302929-97-1.
What is the molecular formula of 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone?
The molecular formula of 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone is C17H16N2O2S.
What is the molecular weight of 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone?
The molecular weight of 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone is 312.09 g/mol.
Where can I buy 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone?
You can request a quote for 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.