Diphemanil methyl sulfate
TL;DR: Diphemanil methyl sulfate (CAS 62-97-5) is a chemical compound with molecular formula C21H27NO4S and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate
Also Known As: DIPHEMANIL METHYLSULFATE, Diphemanil, Prantal, Diphenmanil methylsulfate, Diphenmethanil
| Molecular Formula | C21H27NO4S |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | 3.45 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.16608 |
| Heavy Atoms | 27 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 62-97-5 |
|---|---|
| SMILES | C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-] |
| InChIKey | BREMLQBSKCSNNH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphemanil methyl sulfate (CAS 62-97-5), with molecular formula C21H27NO4S and molecular weight 389.17 g/mol. IUPAC: 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate.
Chemical Property Profile of Diphemanil methyl sulfate
Property Insights of Diphemanil methyl sulfate
The XLogP value of 3.45 indicates that Diphemanil methyl sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphemanil methyl sulfate. Following Lipinski's Rule of Five, Diphemanil methyl sulfate has 0 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 Diphemanil methyl sulfate?
The CAS number of Diphemanil methyl sulfate is 62-97-5.
What is the molecular formula of Diphemanil methyl sulfate?
The molecular formula of Diphemanil methyl sulfate is C21H27NO4S.
What is the molecular weight of Diphemanil methyl sulfate?
The molecular weight of Diphemanil methyl sulfate is 389.17 g/mol.
Where can I buy Diphemanil methyl sulfate?
You can request a quote for Diphemanil methyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphemanil methyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for Diphemanil methyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.