Benzetimide Hydrochloride
TL;DR: Benzetimide Hydrochloride (CAS 5633-14-7) is a chemical compound with molecular formula C23H27ClN2O2 and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione;hydrochloride
Also Known As: Benzetimide HCl, BENZETIMIDE HYDROCHLORIDE, Dioxatrine, Spasmentral, Benzetimide
| Molecular Formula | C23H27ClN2O2 |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.17612 |
| Heavy Atoms | 28 |
| Complexity | 528.0 |
| Solubility | 51.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 5633-14-7 |
|---|---|
| SMILES | C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4.Cl |
| InChIKey | XSOOSXRNMDUWEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzetimide Hydrochloride (CAS 5633-14-7), with molecular formula C23H27ClN2O2 and molecular weight 398.18 g/mol. IUPAC: 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione;hydrochloride.
Chemical Property Profile of Benzetimide Hydrochloride
Property Insights of Benzetimide Hydrochloride
The XLogP value of 3.7 indicates that Benzetimide Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, Benzetimide Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzetimide Hydrochloride has 2 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 Benzetimide Hydrochloride?
The CAS number of Benzetimide Hydrochloride is 5633-14-7.
What is the molecular formula of Benzetimide Hydrochloride?
The molecular formula of Benzetimide Hydrochloride is C23H27ClN2O2.
What is the molecular weight of Benzetimide Hydrochloride?
The molecular weight of Benzetimide Hydrochloride is 398.18 g/mol.
Where can I buy Benzetimide Hydrochloride?
You can request a quote for Benzetimide Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzetimide Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzetimide Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.