Broclepride
TL;DR: Broclepride (CAS 91383-48-1) is a chemical compound with molecular formula C20H23BrClN3O2 and molecular weight 451.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxybenzamide
Also Known As: Broclepride, Brocleprida, Brocleprid, Broclepridum, Broclepride [INN]
| Molecular Formula | C20H23BrClN3O2 |
|---|---|
| Molecular Weight | 451.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.06622 |
| Heavy Atoms | 27 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 91383-48-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl)Br)N |
| InChIKey | OVUIZYRVFCENSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Broclepride (CAS 91383-48-1), with molecular formula C20H23BrClN3O2 and molecular weight 451.07 g/mol. IUPAC: 4-amino-5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxybenzamide.
Chemical Property Profile of Broclepride
Property Insights of Broclepride
The XLogP value of 3.9 indicates that Broclepride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Broclepride. Following Lipinski's Rule of Five, Broclepride has 2 hydrogen bond donor(s) and 4 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 Broclepride?
The CAS number of Broclepride is 91383-48-1.
What is the molecular formula of Broclepride?
The molecular formula of Broclepride is C20H23BrClN3O2.
What is the molecular weight of Broclepride?
The molecular weight of Broclepride is 451.07 g/mol.
Where can I buy Broclepride?
You can request a quote for Broclepride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Broclepride?
Yes, KEHONG BIO provides custom synthesis services for Broclepride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.