RefChem:79725
TL;DR: RefChem:79725 (CAS 63816-04-6) is a chemical compound with molecular formula C15H18ClF3N2O3S and molecular weight 398.06787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]butane-1-sulfonate
Also Known As: 1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt, 6-chloro-1-ethyl-2-methyl-3- -5- -1H-benzimidazolium, 6-Chloro-1-ethyl-2-methyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium, 1H-Benzimidazolium, 5-chloro-3-ethyl-2-methyl-1-(4-sulfobutyl)-6-trifluoromethyl)-, hydroxide, inner salt, 4-[6-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)-1h-benzimidazol-3-ium-3-yl]butane-1-sulfonate
Technical Specifications
| Molecular Formula | C15H18ClF3N2O3S |
| Molecular Weight | 398.06787 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 74.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.06787 Da |
| Heavy Atoms | 25 |
| Complexity | 542.0 |
| SMILES | CCN1C(=[N+](C2=C1C=C(C(=C2)C(F)(F)F)Cl)CCCCS(=O)(=O)[O-])C |
| InChIKey | CCAPDUBSGCCVEZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:79725
Property Insights of RefChem:79725
The XLogP value of 3.2 indicates that RefChem:79725 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79725. Following Lipinski's Rule of Five, RefChem:79725 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:79725?
The CAS number of RefChem:79725 is 63816-04-6.
What is the molecular formula of RefChem:79725?
The molecular formula of RefChem:79725 is C15H18ClF3N2O3S.
What is the molecular weight of RefChem:79725?
The molecular weight of RefChem:79725 is 398.06787 g/mol.
Where can I buy RefChem:79725?
You can request a quote for RefChem:79725 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:79725?
Yes, CoreyChem provides custom synthesis services for RefChem:79725 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.