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2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole
TL;DR: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole (CAS 300696-27-9) is a chemical compound with molecular formula C14H8F3N3O4S2 and molecular weight 402.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole
Also Known As: 2-[(2-nitro-4-triflyl-phenyl)thio]-1H-benzimidazole, 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole, 2-[(2-NITRO-4-TRIFLUOROMETHANESULFONYLPHENYL)SULFANYL]-1H-1,3-BENZODIAZOLE, 2-({2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl}thio)-1H-benzimidazole, 2-((2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)thio)-1H-benzo[d]imidazole
| Molecular Formula | C14H8F3N3O4S2 |
|---|---|
| Molecular Weight | 402.99 g/mol |
| LogP | 3.9158 |
| Topological Polar Surface Area | 105.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.99084 |
| Heavy Atoms | 26 |
| Complexity | 1077.0676 |
Chemical Identifiers
| CAS Number | 300696-27-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole (CAS 300696-27-9), with molecular formula C14H8F3N3O4S2 and molecular weight 402.99 g/mol. IUPAC: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole.
Chemical Property Profile of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole
Property Insights of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole
The XLogP value of 3.9158 indicates that 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole. Following Lipinski's Rule of Five, 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole has 1 hydrogen bond donor(s) and 6 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-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole?
The CAS number of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole is 300696-27-9.
What is the molecular formula of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole?
The molecular formula of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole is C14H8F3N3O4S2.
What is the molecular weight of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole?
The molecular weight of 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole is 402.99 g/mol.
Where can I buy 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole?
You can request a quote for 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.