Hexopyrronium Bromide
TL;DR: Hexopyrronium Bromide (CAS 3734-12-1) is a chemical compound with molecular formula C20H30BrNO3 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Hexopyrronium Bromide
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide
Also Known As: HEXOPYRRONIUM BROMIDE, Hexopyrrolate, Hexopyrronium, Hexopyrolate, Hexopyrronii bromidum
| Molecular Formula | C20H30BrNO3 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | -0.15 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1409 |
| Heavy Atoms | 25 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 3734-12-1 |
|---|---|
| SMILES | C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.[Br-] |
| InChIKey | YEVVXURMULIHJU-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexopyrronium Bromide (CAS 3734-12-1), with molecular formula C20H30BrNO3 and molecular weight 411.14 g/mol. IUPAC: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide.
Chemical Property Profile of Hexopyrronium Bromide
Property Insights of Hexopyrronium Bromide
The XLogP value of -0.15 indicates that Hexopyrronium 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, Hexopyrronium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexopyrronium 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 Hexopyrronium Bromide?
The CAS number of Hexopyrronium Bromide is 3734-12-1.
What is the molecular formula of Hexopyrronium Bromide?
The molecular formula of Hexopyrronium Bromide is C20H30BrNO3.
What is the molecular weight of Hexopyrronium Bromide?
The molecular weight of Hexopyrronium Bromide is 411.14 g/mol.
Where can I buy Hexopyrronium Bromide?
You can request a quote for Hexopyrronium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexopyrronium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Hexopyrronium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.