Benzpyrinium Bromide
TL;DR: Benzpyrinium Bromide (CAS 587-46-2) is a chemical compound with molecular formula C15H17BrN2O2 and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide
Also Known As: BENZPYRINIUM BROMIDE, Benzostigmine, Benzpyrinii bromidum, Bromure de benzpyrinium, Bromuro de benzopirinio
| Molecular Formula | C15H17BrN2O2 |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | -0.91 |
| Topological Polar Surface Area | 33.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.04733 |
| Heavy Atoms | 20 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 587-46-2 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-] |
| InChIKey | YIUNVJGEMXODJX-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzpyrinium Bromide (CAS 587-46-2), with molecular formula C15H17BrN2O2 and molecular weight 336.05 g/mol. IUPAC: (1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide.
Chemical Property Profile of Benzpyrinium Bromide
Property Insights of Benzpyrinium Bromide
The XLogP value of -0.91 indicates that Benzpyrinium Bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.4 Ų, Benzpyrinium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzpyrinium Bromide has 0 hydrogen bond donor(s) and 3 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 Benzpyrinium Bromide?
The CAS number of Benzpyrinium Bromide is 587-46-2.
What is the molecular formula of Benzpyrinium Bromide?
The molecular formula of Benzpyrinium Bromide is C15H17BrN2O2.
What is the molecular weight of Benzpyrinium Bromide?
The molecular weight of Benzpyrinium Bromide is 336.05 g/mol.
Where can I buy Benzpyrinium Bromide?
You can request a quote for Benzpyrinium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzpyrinium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Benzpyrinium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.