Bevonium methyl sulfate
TL;DR: Bevonium methyl sulfate (CAS 5205-82-3) is a chemical compound with molecular formula C23H31NO7S and molecular weight 465.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dimethylpiperidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate;methyl sulfate
Also Known As: Bevonium methyl sulfate, Acabel, BEVONIUM METILSULFATE, Bevonium methylsulfate, Bevonium methylsulphate
| Molecular Formula | C23H31NO7S |
|---|---|
| Molecular Weight | 465.18 g/mol |
| LogP | 2.19 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.18213 |
| Heavy Atoms | 32 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 5205-82-3 |
|---|---|
| SMILES | C[N+]1(CCCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-] |
| InChIKey | AXKJGGRSAVLXTE-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bevonium methyl sulfate (CAS 5205-82-3), with molecular formula C23H31NO7S and molecular weight 465.18 g/mol. IUPAC: (1,1-dimethylpiperidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate;methyl sulfate.
Chemical Property Profile of Bevonium methyl sulfate
Property Insights of Bevonium methyl sulfate
The XLogP value of 2.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bevonium methyl sulfate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bevonium methyl sulfate. Following Lipinski's Rule of Five, Bevonium methyl sulfate has 1 hydrogen bond donor(s) and 7 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 Bevonium methyl sulfate?
The CAS number of Bevonium methyl sulfate is 5205-82-3.
What is the molecular formula of Bevonium methyl sulfate?
The molecular formula of Bevonium methyl sulfate is C23H31NO7S.
What is the molecular weight of Bevonium methyl sulfate?
The molecular weight of Bevonium methyl sulfate is 465.18 g/mol.
Where can I buy Bevonium methyl sulfate?
You can request a quote for Bevonium methyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bevonium methyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for Bevonium methyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.