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Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid structure
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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 443.97964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

CAS Number
56-97-3
Molecular Formula
C15H18Br2N4O2
Molecular Weight
443.97964 g/mol
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Application Areas

Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (1 patents) Analytical Reagents (2 patents) Biotechnology (21 patents) Catalysts (1 patents) Coatings & Adhesives (1 patents)

Technical Specifications

Molecular FormulaC15H18Br2N4O2
Molecular Weight443.97964 g/mol
XLogP-5.02
Topological Polar Surface Area (TPSA)72.9 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds6
Exact Mass445.9776 Da
Heavy Atoms23
Complexity301.0
SMILESC1=C[N+](=CC=C1C=NO)CCC[N+]2=CC=C(C=C2)C=NO.[Br-].[Br-]
InChIKeyJHZHWVQTOXIXIV-UHFFFAOYSA-N

Product Description

Applications: Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid is a pharmaceutical intermediate identified by CAS number 56-97-3 and the molecular formula C15H18Br2N4O2 and a molecular weight of 443.98 g/mol. Synonyms include TRIMEDOXIME BROMIDE and Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid

XLogP
-5.02
TPSA (Topological Polar Surface Area)
72.9
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
23
Complexity
301.0
Exact Mass
445.9776
Monoisotopic Mass
443.97964
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

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

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 443.97964 g/mol.

What are the applications of Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid?

Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...

Where can I buy Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid?

You can request a quote for Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Trimethylen-bis-(pyridinium-4-aldoxim)-dibromid?

Yes, CoreyChem 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.

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