1-(Toluene-4-sulfonyl)-1H-benzoimidazole
TL;DR: 1-(Toluene-4-sulfonyl)-1H-benzoimidazole (CAS 15728-44-6) is a chemical compound with molecular formula C14H12N2O2S and molecular weight 272.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)sulfonylbenzimidazole
Also Known As: N-tosyl benzimidazole, 1-tosylbenzimidazole, 1-Tosyl-1H-benzo[d]imidazole, starbld0002057, 1-Tosyl-1H-benzimidazole
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H12N2O2S |
| Molecular Weight | 272.06195 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.06195 Da |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=CC=CC=C32 |
| InChIKey | RVEFLPWSRYGYOL-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Toluene-4-sulfonyl)-1H-benzoimidazole
Property Insights of 1-(Toluene-4-sulfonyl)-1H-benzoimidazole
The XLogP value of 3.0 indicates that 1-(Toluene-4-sulfonyl)-1H-benzoimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Toluene-4-sulfonyl)-1H-benzoimidazole. Following Lipinski's Rule of Five, 1-(Toluene-4-sulfonyl)-1H-benzoimidazole 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-(Toluene-4-sulfonyl)-1H-benzoimidazole?
The CAS number of 1-(Toluene-4-sulfonyl)-1H-benzoimidazole is 15728-44-6.
What is the molecular formula of 1-(Toluene-4-sulfonyl)-1H-benzoimidazole?
The molecular formula of 1-(Toluene-4-sulfonyl)-1H-benzoimidazole is C14H12N2O2S.
What is the molecular weight of 1-(Toluene-4-sulfonyl)-1H-benzoimidazole?
The molecular weight of 1-(Toluene-4-sulfonyl)-1H-benzoimidazole is 272.06195 g/mol.
Where can I buy 1-(Toluene-4-sulfonyl)-1H-benzoimidazole?
You can request a quote for 1-(Toluene-4-sulfonyl)-1H-benzoimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Toluene-4-sulfonyl)-1H-benzoimidazole?
Yes, CoreyChem provides custom synthesis services for 1-(Toluene-4-sulfonyl)-1H-benzoimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.