Distigmine Bromide
TL;DR: Distigmine Bromide (CAS 15876-67-2) is a chemical compound with molecular formula C22H32Br2N4O4 and molecular weight 574.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate dibromide
Also Known As: distigmine bromide, Ubretid, Ubritil, Distigmine, Hexamarium
| Molecular Formula | C22H32Br2N4O4 |
|---|---|
| Molecular Weight | 574.08 g/mol |
| LogP | -3.53 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 576.07697 |
| Heavy Atoms | 32 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 15876-67-2 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)OC(=O)N(C)CCCCCCN(C)C(=O)OC2=C[N+](=CC=C2)C.[Br-].[Br-] |
| InChIKey | GJHSNEVFXQVOHR-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Distigmine Bromide (CAS 15876-67-2), with molecular formula C22H32Br2N4O4 and molecular weight 574.08 g/mol. IUPAC: (1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate dibromide.
Chemical Property Profile of Distigmine Bromide
Property Insights of Distigmine Bromide
The XLogP value of -3.53 indicates that Distigmine Bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Distigmine Bromide. Following Lipinski's Rule of Five, Distigmine Bromide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Distigmine Bromide?
The CAS number of Distigmine Bromide is 15876-67-2.
What is the molecular formula of Distigmine Bromide?
The molecular formula of Distigmine Bromide is C22H32Br2N4O4.
What is the molecular weight of Distigmine Bromide?
The molecular weight of Distigmine Bromide is 574.08 g/mol.
Where can I buy Distigmine Bromide?
You can request a quote for Distigmine Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Distigmine Bromide?
Yes, KEHONG BIO provides custom synthesis services for Distigmine Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.