Oxypyrronium bromide
TL;DR: Oxypyrronium bromide (CAS 561-43-3) is a chemical compound with molecular formula C21H32BrNO3 and molecular weight 425.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide
Also Known As: Oxypyrronium bromide, Immetropan, Imetro, Oxypyrronium, oxypyrroniumbromid
| Molecular Formula | C21H32BrNO3 |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 0.24 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.15656 |
| Heavy Atoms | 26 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 561-43-3 |
|---|---|
| SMILES | C[N+]1(CCCC1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.[Br-] |
| InChIKey | SXGOKQARVJHRML-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxypyrronium bromide (CAS 561-43-3), with molecular formula C21H32BrNO3 and molecular weight 425.16 g/mol. IUPAC: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide.
Chemical Property Profile of Oxypyrronium bromide
Property Insights of Oxypyrronium bromide
The XLogP value of 0.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxypyrronium bromide. With a topological polar surface area (TPSA) of 46.5 Ų, Oxypyrronium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxypyrronium 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 Oxypyrronium bromide?
The CAS number of Oxypyrronium bromide is 561-43-3.
What is the molecular formula of Oxypyrronium bromide?
The molecular formula of Oxypyrronium bromide is C21H32BrNO3.
What is the molecular weight of Oxypyrronium bromide?
The molecular weight of Oxypyrronium bromide is 425.16 g/mol.
Where can I buy Oxypyrronium bromide?
You can request a quote for Oxypyrronium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxypyrronium bromide?
Yes, KEHONG BIO provides custom synthesis services for Oxypyrronium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.