Hexopyrronium
TL;DR: Hexopyrronium (CAS 14461-98-4) is a chemical compound with molecular formula C20H30NO3+ and molecular weight 332.22 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-cyclohexyl-2-hydroxy-2-phenylacetate
Also Known As: Hexopyrronium, Hexopyrronium ion, Hexopyrronium cation, 1,1-Dimethyl-3-hydroxy-pyrrolidinium alpha-phenyl-cyclohexaneglycolate, (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
| Molecular Formula | C20H30NO3+ |
|---|---|
| Molecular Weight | 332.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.22256 |
| Heavy Atoms | 24 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 14461-98-4 |
|---|---|
| SMILES | C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C |
| InChIKey | NEFZSDAFBFJUNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexopyrronium (CAS 14461-98-4), with molecular formula C20H30NO3+ and molecular weight 332.22 g/mol. IUPAC: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of Hexopyrronium
Property Insights of Hexopyrronium
The XLogP value of 3.6 indicates that Hexopyrronium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Hexopyrronium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexopyrronium 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 Hexopyrronium?
The CAS number of Hexopyrronium is 14461-98-4.
What is the molecular formula of Hexopyrronium?
The molecular formula of Hexopyrronium is C20H30NO3+.
What is the molecular weight of Hexopyrronium?
The molecular weight of Hexopyrronium is 332.22 g/mol.
Where can I buy Hexopyrronium?
You can request a quote for Hexopyrronium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexopyrronium?
Yes, KEHONG BIO provides custom synthesis services for Hexopyrronium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.