Mepenzolate Bromide
TL;DR: Mepenzolate Bromide (CAS 76-90-4) is a chemical compound with molecular formula C21H26BrNO3 and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Also Known As: MEPENZOLATE BROMIDE, Cantil, Cantilaque, Colibantil, Gastropidil
| Molecular Formula | C21H26BrNO3 |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | -0.29 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.10962 |
| Heavy Atoms | 26 |
| Complexity | 432.0 |
| Solubility | >63.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 76-90-4 |
|---|---|
| SMILES | C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-] |
| InChIKey | JRRNZNSGDSFFIR-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mepenzolate Bromide (CAS 76-90-4), with molecular formula C21H26BrNO3 and molecular weight 419.11 g/mol. IUPAC: (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide.
Chemical Property Profile of Mepenzolate Bromide
Property Insights of Mepenzolate Bromide
The XLogP value of -0.29 indicates that Mepenzolate Bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Mepenzolate Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mepenzolate Bromide has 1 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 Mepenzolate Bromide?
The CAS number of Mepenzolate Bromide is 76-90-4.
What is the molecular formula of Mepenzolate Bromide?
The molecular formula of Mepenzolate Bromide is C21H26BrNO3.
What is the molecular weight of Mepenzolate Bromide?
The molecular weight of Mepenzolate Bromide is 419.11 g/mol.
Where can I buy Mepenzolate Bromide?
You can request a quote for Mepenzolate Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mepenzolate Bromide?
Yes, KEHONG BIO provides custom synthesis services for Mepenzolate Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.