Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid
TL;DR: Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid (CAS 56-97-3) is a chemical compound with molecular formula C15H18Br2N4O2 and molecular weight 443.98 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 dibromide
Also Known As: TRIMEDOXIME BROMIDE, Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid, 1,1'-TRIMETHYLENE-BIS(4-FORMYLPYRIDINIUM BROMIDE) DIOXIME, Ethyl 5-(2-amino-2-oxoethyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate, oxo-[[1-[3-[4-(oxoazaniumylmethylidene)pyridin-1-yl]propyl]pyridin-4-ylidene]methyl]azanium,dibromide
| Molecular Formula | C15H18Br2N4O2 |
|---|---|
| Molecular Weight | 443.98 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 | 445.9776 |
| Heavy Atoms | 23 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 56-97-3 |
|---|---|
| SMILES | C1=C[N+](=CC=C1C=NO)CCC[N+]2=CC=C(C=C2)C=NO.[Br-].[Br-] |
| InChIKey | JHZHWVQTOXIXIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid (CAS 56-97-3), with molecular formula C15H18Br2N4O2 and molecular weight 443.98 g/mol. IUPAC: N-[[1-[3-[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dibromide.
Chemical Property Profile of Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid
Property Insights of Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid
The XLogP value of -5.02 indicates that Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid 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 Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid. Following Lipinski's Rule of Five, Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid 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 Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid?
The CAS number of Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid is 56-97-3.
What is the molecular formula of Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid?
The molecular formula of Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid is C15H18Br2N4O2.
What is the molecular weight of Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid?
The molecular weight of Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid is 443.98 g/mol.
Where can I buy Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid?
You can request a quote for Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid?
Yes, KEHONG BIO provides custom synthesis services for Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.