![1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide structure](/static/products/3687/3687-94-3.webp)
1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide
TL;DR: 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide (CAS 3687-94-3) is a chemical compound with molecular formula C15H16Br2N4O3 and molecular weight 457.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide
Also Known As: oxo-[[1-[2-oxo-3-[4-(oxoazaniumylmethylidene)pyridin-1-yl]propyl]pyridin-4-ylidene]methyl]azanium dibromide
| Molecular Formula | C15H16Br2N4O3 |
|---|---|
| Molecular Weight | 457.96 g/mol |
| LogP | -5.84 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.95688 |
| Heavy Atoms | 24 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 3687-94-3 |
|---|---|
| SMILES | C1=C[N+](=CC=C1C=NO)CC(=O)C[N+]2=CC=C(C=C2)C=NO.[Br-].[Br-] |
| InChIKey | DWJXBTKCWYIPMT-UHFFFAOYSA-N |
Product Overview
1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide (CAS 3687-94-3), with molecular formula C15H16Br2N4O3 and molecular weight 457.96 g/mol. IUPAC: 1,3-bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide.
Chemical Property Profile of 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide
Property Insights of 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide
The XLogP value of -5.84 indicates that 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide. Following Lipinski's Rule of Five, 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide has 2 hydrogen bond donor(s) and 7 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 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide?
The CAS number of 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide is 3687-94-3.
What is the molecular formula of 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide?
The molecular formula of 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide is C15H16Br2N4O3.
What is the molecular weight of 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide?
The molecular weight of 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide is 457.96 g/mol.
Where can I buy 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide?
You can request a quote for 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propan-2-one dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.