RefChem:1058015
TL;DR: RefChem:1058015 (CAS 117941-41-0) is a chemical compound with molecular formula C14H20Cl2N6O4-4 and molecular weight 406.09232 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-[1-methyl-3-[[(E)-2-[[3-methyl-2-[(E)-oxidoiminomethyl]-2H-imidazol-1-yl]methoxy]ethenoxy]methyl]-2H-imidazol-2-yl]-N-oxidomethanimine dichloride
Also Known As: 1H-Imidazolium, 1,1'-(ethylenebis(oxymethylene))bis(2-((hydroxyimino)methyl)-3-methyl-, dichloride, 1,1'-(Ethylenebis(oxymethylene))bis(2-(hydroxyimino)methyl-3-methyl-1H-imidazolium chloride)
Technical Specifications
| Molecular Formula | C14H20Cl2N6O4-4 |
| Molecular Weight | 406.09232 g/mol |
| XLogP | -5.3596 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.09232 Da |
| Heavy Atoms | 26 |
| Complexity | 489.0 |
| SMILES | CN1C(N(C=C1)CO/C=C/OCN2C(N(C=C2)C)/C=N/[O-])/C=N/[O-].[Cl-].[Cl-] |
| InChIKey | LUPNWVJFKQTITO-OCPUNOPKSA-J |
Chemical Property Profile of RefChem:1058015
Property Insights of RefChem:1058015
The XLogP value of -5.3596 indicates that RefChem:1058015 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058015. Following Lipinski's Rule of Five, RefChem:1058015 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1058015?
The CAS number of RefChem:1058015 is 117941-41-0.
What is the molecular formula of RefChem:1058015?
The molecular formula of RefChem:1058015 is C14H20Cl2N6O4-4.
What is the molecular weight of RefChem:1058015?
The molecular weight of RefChem:1058015 is 406.09232 g/mol.
Where can I buy RefChem:1058015?
You can request a quote for RefChem:1058015 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058015?
Yes, CoreyChem provides custom synthesis services for RefChem:1058015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.