溴美喷酯
TL;DR: 溴美喷酯 (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.
溴美喷酯
(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
溴美喷酯 (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 溴美喷酯
Property Insights of 溴美喷酯
The XLogP value of -0.29 indicates that 溴美喷酯 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, 溴美喷酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴美喷酯 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 溴美喷酯?
The CAS number of 溴美喷酯 is 76-90-4.
What is the molecular formula of 溴美喷酯?
The molecular formula of 溴美喷酯 is C21H26BrNO3.
What is the molecular weight of 溴美喷酯?
The molecular weight of 溴美喷酯 is 419.11 g/mol.
Where can I buy 溴美喷酯?
You can request a quote for 溴美喷酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴美喷酯?
Yes, KEHONG BIO provides custom synthesis services for 溴美喷酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.