Benzopyrronium
TL;DR: Benzopyrronium (CAS 765836-13-3) is a chemical compound with molecular formula C20H24NO3+ and molecular weight 326.18 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
Also Known As: Benzopyrronium, Benzopyrronium ion, Benzopyrronium cation, Benzopyrronum bromide, Benzopyrronii bromidum
| Molecular Formula | C20H24NO3+ |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.17563 |
| Heavy Atoms | 24 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 765836-13-3 |
|---|---|
| SMILES | C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C |
| InChIKey | DKSDLGLRESJFOT-UHFFFAOYSA-N |
Product Overview
Benzopyrronium (CAS 765836-13-3), with molecular formula C20H24NO3+ and molecular weight 326.18 g/mol. IUPAC: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Benzopyrronium
Property Insights of Benzopyrronium
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzopyrronium. With a topological polar surface area (TPSA) of 46.5 Ų, Benzopyrronium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzopyrronium 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 Benzopyrronium?
The CAS number of Benzopyrronium is 765836-13-3.
What is the molecular formula of Benzopyrronium?
The molecular formula of Benzopyrronium is C20H24NO3+.
What is the molecular weight of Benzopyrronium?
The molecular weight of Benzopyrronium is 326.18 g/mol.
Where can I buy Benzopyrronium?
You can request a quote for Benzopyrronium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzopyrronium?
Yes, KEHONG BIO provides custom synthesis services for Benzopyrronium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.