Benzopyrronium Bromide
TL;DR: Benzopyrronium Bromide (CAS 13696-15-6) is a chemical compound with molecular formula C20H24BrNO3 and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Also Known As: Benzopyrronium Bromide, Benzopyrronum bromide, Benzopyrronii bromidum, Bromuro de benzopirronio, Bromure de benzopyrronium
| Molecular Formula | C20H24BrNO3 |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | -0.68 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.09396 |
| Heavy Atoms | 25 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 13696-15-6 |
|---|---|
| SMILES | C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-] |
| InChIKey | GXDDWKSWODZCSV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzopyrronium Bromide (CAS 13696-15-6), with molecular formula C20H24BrNO3 and molecular weight 405.09 g/mol. IUPAC: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide.
Chemical Property Profile of Benzopyrronium Bromide
Property Insights of Benzopyrronium Bromide
The XLogP value of -0.68 indicates that Benzopyrronium Bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Benzopyrronium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzopyrronium Bromide has 1 hydrogen bond donor(s) and 4 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 Benzopyrronium Bromide?
The CAS number of Benzopyrronium Bromide is 13696-15-6.
What is the molecular formula of Benzopyrronium Bromide?
The molecular formula of Benzopyrronium Bromide is C20H24BrNO3.
What is the molecular weight of Benzopyrronium Bromide?
The molecular weight of Benzopyrronium Bromide is 405.09 g/mol.
Where can I buy Benzopyrronium Bromide?
You can request a quote for Benzopyrronium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzopyrronium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Benzopyrronium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.