Diphemanil methyl sulfate
TL;DR: Diphemanil methyl sulfate (CAS 62-97-5) is a chemical compound with molecular formula C21H27NO4S and molecular weight 389.16608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate
Also Known As: DIPHEMANIL METHYLSULFATE, Diphemanil, Prantal, Diphenmanil methylsulfate, Diphenmethanil
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H27NO4S |
| Molecular Weight | 389.16608 g/mol |
| XLogP | 3.45 |
| Topological Polar Surface Area (TPSA) | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.16608 Da |
| Heavy Atoms | 27 |
| Complexity | 426.0 |
| SMILES | C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-] |
| InChIKey | BREMLQBSKCSNNH-UHFFFAOYSA-M |
Product Description
Applications: Diphemanil methyl sulfate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diphemanil methyl sulfate (CAS 62-97-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Diphemanil methyl sulfate (CAS 62-97-5) has the molecular formula C21H27NO4S and a molecular weight of 389.17 g/mol. It is also known as DIPHEMANIL METHYLSULFATE and Diphemanil.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 389.16608 g/mol.
What are the applications of Diphemanil methyl sulfate?
Diphemanil methyl sulfate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diphemanil methyl sulfate (CAS 62-97-5) with custom...
Where can I buy Diphemanil methyl sulfate?
You can request a quote for Diphemanil methyl sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diphemanil methyl sulfate?
Yes, CoreyChem provides custom synthesis services for Diphemanil methyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.