1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt
TL;DR: 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt (CAS 33628-05-6) is a chemical compound with molecular formula C29H29Cl2F6N4NaO6S2 and molecular weight 800.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[5-chloro-2-[3-[6-chloro-1-ethyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-6-(trifluoromethyl)benzimidazol-1-yl]propane-1-sulfonate
Also Known As: 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt, 1H-Benzimidazolium, 5-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt, 1H-Benzimidazolium, 6-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1), 1H-Benzimidazolium, 6-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt
| Molecular Formula | C29H29Cl2F6N4NaO6S2 |
|---|---|
| Molecular Weight | 800.07 g/mol |
| LogP | 3.3688 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 800.07074 |
| Heavy Atoms | 50 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 33628-05-6 |
|---|---|
| SMILES | CCN1C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=C1C=CC=C3N(C4=C(N3CCCS(=O)(=O)[O-])C=C(C(=C4)Cl)C(F)(F)F)CC)CCCS(=O)(=O)[O-].[Na+] |
| InChIKey | XJTFGUSFOPRUQV-UHFFFAOYSA-M |
Product Overview
1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt (CAS 33628-05-6), with molecular formula C29H29Cl2F6N4NaO6S2 and molecular weight 800.07 g/mol. IUPAC: sodium 3-[5-chloro-2-[3-[6-chloro-1-ethyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-6-(trifluoromethyl)benzimidazol-1-yl]propane-1-sulfonate.
Chemical Property Profile of 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt
Property Insights of 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt
The XLogP value of 3.3688 indicates that 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt?
The CAS number of 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt is 33628-05-6.
What is the molecular formula of 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt?
The molecular formula of 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt is C29H29Cl2F6N4NaO6S2.
What is the molecular weight of 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt?
The molecular weight of 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt is 800.07 g/mol.
Where can I buy 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt?
You can request a quote for 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.