2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole
TL;DR: 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole (CAS 92968-90-6) is a chemical compound with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole
Also Known As: 2-ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole, 2-ethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-benzoimidazole, 2-ethyl-1-[(4-methyl-3-nitrophenyl)sulfonyl]-1H-benzimidazole, 2-ETHYL-1-(4-METHYL-3-NITROBENZENESULFONYL)-1H-1,3-BENZODIAZOLE
| Molecular Formula | C16H15N3O4S |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.07834 |
| Heavy Atoms | 24 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 92968-90-6 |
|---|---|
| SMILES | CCC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] |
| InChIKey | VGGBNMVEJXBHIE-UHFFFAOYSA-N |
Product Overview
2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole (CAS 92968-90-6), with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol. IUPAC: 2-ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole.
Chemical Property Profile of 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole
Property Insights of 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole
The XLogP value of 3.7 indicates that 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole. Following Lipinski's Rule of Five, 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole has 0 hydrogen bond donor(s) and 5 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-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole?
The CAS number of 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole is 92968-90-6.
What is the molecular formula of 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole?
The molecular formula of 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole is C16H15N3O4S.
What is the molecular weight of 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole?
The molecular weight of 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole is 345.08 g/mol.
Where can I buy 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole?
You can request a quote for 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1-(4-methyl-3-nitrophenyl)sulfonylbenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.