![2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole structure](/static/products/3448/344896-52-2.webp)
2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole
TL;DR: 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole (CAS 344896-52-2) is a chemical compound with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole
Also Known As: 2-methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole, 2-(methylsulfanyl)-1-(3-nitrobenzyl)-1H-benzimidazole, 2-(methylthio)-1-(3-nitrobenzyl)-1H-benzo[d]imidazole, 2-Methylsulfanyl-1-(3-nitro-benzyl)-1H-benzoimidazole
| Molecular Formula | C15H13N3O2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 3.7147 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07285 |
| Heavy Atoms | 21 |
| Complexity | 813.5389 |
Chemical Identifiers
| CAS Number | 344896-52-2 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2N1CC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole (CAS 344896-52-2), with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol. IUPAC: 2-methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole.
Chemical Property Profile of 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole
Property Insights of 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole
The XLogP value of 3.7147 indicates that 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole. Following Lipinski's Rule of Five, 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]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-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole?
The CAS number of 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole is 344896-52-2.
What is the molecular formula of 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole?
The molecular formula of 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole is C15H13N3O2S.
What is the molecular weight of 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole?
The molecular weight of 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole is 299.07 g/mol.
Where can I buy 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole?
You can request a quote for 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylsulfanyl-1-[(3-nitrophenyl)methyl]benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.