Clebopride hydrogen malate
TL;DR: Clebopride hydrogen malate (CAS 57645-91-7) is a chemical compound with molecular formula C24H30ClN3O7 and molecular weight 507.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide;2,4-dihydroxy-4-oxobutanoate
Also Known As: clebopride malate, Guggulsterone, Clebopride hydrogen malate, Clast (TN), Clebopride malate [JAN]
| Molecular Formula | C24H30ClN3O7 |
|---|---|
| Molecular Weight | 507.18 g/mol |
| LogP | -0.52 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.17722 |
| Heavy Atoms | 35 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 57645-91-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)N.C(C(C(=O)[O-])O)C(=O)O |
| InChIKey | NYNKCGWJPNZJMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clebopride hydrogen malate (CAS 57645-91-7), with molecular formula C24H30ClN3O7 and molecular weight 507.18 g/mol. IUPAC: 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide;2,4-dihydroxy-4-oxobutanoate.
Chemical Property Profile of Clebopride hydrogen malate
Property Insights of Clebopride hydrogen malate
The XLogP value of -0.52 indicates that Clebopride hydrogen malate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting Clebopride hydrogen malate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clebopride hydrogen malate has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clebopride hydrogen malate?
The CAS number of Clebopride hydrogen malate is 57645-91-7.
What is the molecular formula of Clebopride hydrogen malate?
The molecular formula of Clebopride hydrogen malate is C24H30ClN3O7.
What is the molecular weight of Clebopride hydrogen malate?
The molecular weight of Clebopride hydrogen malate is 507.18 g/mol.
Where can I buy Clebopride hydrogen malate?
You can request a quote for Clebopride hydrogen malate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clebopride hydrogen malate?
Yes, KEHONG BIO provides custom synthesis services for Clebopride hydrogen malate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.