5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole
TL;DR: 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole (CAS 24933-36-6) is a chemical compound with molecular formula C11H12F2N2O2S and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole
Also Known As: 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole, 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole, 5-(difluoromethane)sulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole, 5-DIFLUOROMETHANESULFONYL-1-ETHYL-2-METHYL-1,3-BENZODIAZOLE, C11H12F2N2O2S
| Molecular Formula | C11H12F2N2O2S |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 2.36092 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.05875 |
| Heavy Atoms | 18 |
| Complexity | 692.3763 |
Chemical Identifiers
| CAS Number | 24933-36-6 |
|---|---|
| SMILES | CCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)C(F)F)C |
Product Overview
5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole (CAS 24933-36-6), with molecular formula C11H12F2N2O2S and molecular weight 274.06 g/mol. IUPAC: 5-(difluoromethylsulfonyl)-1-ethyl-2-methylbenzimidazole.
Chemical Property Profile of 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole
Property Insights of 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole
The XLogP value of 2.36092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole. With a topological polar surface area (TPSA) of 51.96 Ų, 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole 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
Frequently Asked Questions
What is the CAS number of 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole?
The CAS number of 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole is 24933-36-6.
What is the molecular formula of 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole?
The molecular formula of 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole is C11H12F2N2O2S.
What is the molecular weight of 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole?
The molecular weight of 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole is 274.06 g/mol.
Where can I buy 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole?
You can request a quote for 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-difluoromethanesulfonyl-1-ethyl-2-methyl-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.