1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
TL;DR: 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole (CAS 718603-75-9) is a chemical compound with molecular formula C17H17FN2O3S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
Also Known As: 1-(3-ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole, AF-399/42911249, 4-[(5,6-dimethylbenzimidazolyl)sulfonyl]-2-ethoxy-1-fluorobenzene, 1-[(3-ethoxy-4-fluorophenyl)sulfonyl]-5,6-dimethyl-1H-benzimidazole, 5-[(5,6-dimethyl-1H-benzimidazol-1-yl)sulfonyl]-2-fluorophenyl ethyl ether
| Molecular Formula | C17H17FN2O3S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 3.42794 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0944 |
| Heavy Atoms | 24 |
| Complexity | 1025.7368 |
Chemical Identifiers
| CAS Number | 718603-75-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)S(=O)(=O)N2C=NC3=C2C=C(C(=C3)C)C)F |
Product Overview
1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole (CAS 718603-75-9), with molecular formula C17H17FN2O3S and molecular weight 348.09 g/mol. IUPAC: 1-(3-ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole.
Chemical Property Profile of 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
Property Insights of 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
The XLogP value of 3.42794 indicates that 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole. Following Lipinski's Rule of Five, 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole 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 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole?
The CAS number of 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole is 718603-75-9.
What is the molecular formula of 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole?
The molecular formula of 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole is C17H17FN2O3S.
What is the molecular weight of 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole?
The molecular weight of 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole is 348.09 g/mol.
Where can I buy 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole?
You can request a quote for 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Ethoxy-4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.