Benzilone
TL;DR: Benzilone (CAS 16175-92-1) is a chemical compound with molecular formula C22H28NO3+ and molecular weight 354.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-diethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate
Also Known As: Benzilonium, Benzilone, Benzilonium ion, Benzilonium cation, Benzilonium bromide
| Molecular Formula | C22H28NO3+ |
|---|---|
| Molecular Weight | 354.21 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.2069 |
| Heavy Atoms | 26 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 16175-92-1 |
|---|---|
| SMILES | CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC |
| InChIKey | ZKCWITXZGWUJAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzilone (CAS 16175-92-1), with molecular formula C22H28NO3+ and molecular weight 354.21 g/mol. IUPAC: (1,1-diethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Benzilone
Property Insights of Benzilone
The XLogP value of 3.6 indicates that Benzilone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzilone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilone 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 Benzilone?
The CAS number of Benzilone is 16175-92-1.
What is the molecular formula of Benzilone?
The molecular formula of Benzilone is C22H28NO3+.
What is the molecular weight of Benzilone?
The molecular weight of Benzilone is 354.21 g/mol.
Where can I buy Benzilone?
You can request a quote for Benzilone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzilone?
Yes, KEHONG BIO provides custom synthesis services for Benzilone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.