RefChem:79704
TL;DR: RefChem:79704 (CAS 63815-86-1) is a chemical compound with molecular formula C27H27F6N4NaO6S2 and molecular weight 704.1174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 3-[3-methyl-2-[3-[1-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)benzimidazol-2-ylidene]prop-1-enyl]-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]propane-1-sulfonate
Also Known As: 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1), 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt, 1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt, 3-[2,3-dimethyl-6-(trifluoromethyl)-1h-3,1-benzimidazol-3-ium-1-yl]propane-1-sulfonate, 1-METHYL-3-SULFOPROPYL-5-TRIFLUOROMETHYL-2-(3-(1-METHYL-3-SULFOPROPYL-5-TRIFLUOROMETHYL BENZIMIDAZOLINYLIDENE)-1-PROPENYL) BENZIMIDAZOLIUM HYDROXIDE, INNER SALT, SODIUM SALT
Technical Specifications
| Molecular Formula | C27H27F6N4NaO6S2 |
| Molecular Weight | 704.1174 g/mol |
| XLogP | 1.19 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 704.1174 Da |
| Heavy Atoms | 46 |
| Complexity | 1190.0 |
| SMILES | CN1C2=C(C=C(C=C2)C(F)(F)F)N(C1=CC=CC3=[N+](C4=C(N3CCCS(=O)(=O)[O-])C=C(C=C4)C(F)(F)F)C)CCCS(=O)(=O)[O-].[Na+] |
| InChIKey | IUNMFJCYRMCJST-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:79704
Property Insights of RefChem:79704
The XLogP value of 1.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79704. The TPSA of 146.0 Ų indicates high polarity, suggesting RefChem:79704 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:79704 has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:79704?
The CAS number of RefChem:79704 is 63815-86-1.
What is the molecular formula of RefChem:79704?
The molecular formula of RefChem:79704 is C27H27F6N4NaO6S2.
What is the molecular weight of RefChem:79704?
The molecular weight of RefChem:79704 is 704.1174 g/mol.
Where can I buy RefChem:79704?
You can request a quote for RefChem:79704 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:79704?
Yes, CoreyChem provides custom synthesis services for RefChem:79704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.