Oxypyrronium
TL;DR: Oxypyrronium (CAS 116533-64-3) is a chemical compound with molecular formula C21H32NO3+ and molecular weight 346.24 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
Also Known As: Oxypyrronium, Oxypyrronium cation, Oxypyrronium ion, J2.935.491J, 2-({[cyclohexyl(hydroxy)phenylacetyl]oxy}methyl)-1,1-dimethylpyrrolidinium
| Molecular Formula | C21H32NO3+ |
|---|---|
| Molecular Weight | 346.24 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.23822 |
| Heavy Atoms | 25 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 116533-64-3 |
|---|---|
| SMILES | C[N+]1(CCCC1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C |
| InChIKey | KASKRXOORXMTTP-UHFFFAOYSA-N |
Product Overview
Oxypyrronium (CAS 116533-64-3), with molecular formula C21H32NO3+ and molecular weight 346.24 g/mol. IUPAC: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of Oxypyrronium
Property Insights of Oxypyrronium
The XLogP value of 4.0 indicates that Oxypyrronium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Oxypyrronium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxypyrronium has 1 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 Oxypyrronium?
The CAS number of Oxypyrronium is 116533-64-3.
What is the molecular formula of Oxypyrronium?
The molecular formula of Oxypyrronium is C21H32NO3+.
What is the molecular weight of Oxypyrronium?
The molecular weight of Oxypyrronium is 346.24 g/mol.
Where can I buy Oxypyrronium?
You can request a quote for Oxypyrronium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxypyrronium?
Yes, KEHONG BIO provides custom synthesis services for Oxypyrronium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.