RefChem:1058017
TL;DR: RefChem:1058017 (CAS 117941-42-1) is a chemical compound with molecular formula C13H18Cl2N6O2-4 and molecular weight 360.08682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-[1-methyl-3-[(E)-3-[3-methyl-2-[(E)-oxidoiminomethyl]-2H-imidazol-1-yl]prop-2-enyl]-2H-imidazol-2-yl]-N-oxidomethanimine dichloride
Also Known As: 1H-Imidazolium, 1,3-(trimethylene)bis(2-((hydroxyimino)methyl)-3-methyl-, dichloride, 1,3-(Trimethylene)bis(2-((hydroxyimino)methyl)-3-methyl-1H-imidazolium chloride)
Technical Specifications
| Molecular Formula | C13H18Cl2N6O2-4 |
| Molecular Weight | 360.08682 g/mol |
| XLogP | -5.2653 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.08682 Da |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
| SMILES | CN1C=CN(C1/C=N/[O-])C/C=C/N2C=CN(C2/C=N/[O-])C.[Cl-].[Cl-] |
| InChIKey | RTIRHVWYFZVLKC-XXEVLHNISA-J |
Chemical Property Profile of RefChem:1058017
Property Insights of RefChem:1058017
The XLogP value of -5.2653 indicates that RefChem:1058017 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058017. Following Lipinski's Rule of Five, RefChem:1058017 has 0 hydrogen bond donor(s) and 10 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:1058017?
The CAS number of RefChem:1058017 is 117941-42-1.
What is the molecular formula of RefChem:1058017?
The molecular formula of RefChem:1058017 is C13H18Cl2N6O2-4.
What is the molecular weight of RefChem:1058017?
The molecular weight of RefChem:1058017 is 360.08682 g/mol.
Where can I buy RefChem:1058017?
You can request a quote for RefChem:1058017 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058017?
Yes, CoreyChem provides custom synthesis services for RefChem:1058017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.