1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime
TL;DR: 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime (CAS 3613-82-9) is a chemical compound with molecular formula C15H18Cl2N4O2 and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-[3-[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dichloride
Also Known As: 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime, Pyridinium, 1,1a(2)-(1,3-propanediyl)bis[4-[(hydroxyimino)methyl]-, chloride (1:2)
| Molecular Formula | C15H18Cl2N4O2 |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | -5.02 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.0807 |
| Heavy Atoms | 23 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 3613-82-9 |
|---|---|
| SMILES | C1=C[N+](=CC=C1C=NO)CCC[N+]2=CC=C(C=C2)C=NO.[Cl-].[Cl-] |
| InChIKey | UTVALPBGSAUYNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime (CAS 3613-82-9), with molecular formula C15H18Cl2N4O2 and molecular weight 356.08 g/mol. IUPAC: N-[[1-[3-[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dichloride.
Chemical Property Profile of 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime
Property Insights of 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime
The XLogP value of -5.02 indicates that 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime. Following Lipinski's Rule of Five, 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime?
The CAS number of 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime is 3613-82-9.
What is the molecular formula of 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime?
The molecular formula of 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime is C15H18Cl2N4O2.
What is the molecular weight of 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime?
The molecular weight of 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime is 356.08 g/mol.
Where can I buy 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime?
You can request a quote for 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime?
Yes, KEHONG BIO provides custom synthesis services for 1,1-trimethylene bis-(4-formylpyridinium chloride) dioxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.