Diphenhydramine
TL;DR: Diphenhydramine (CAS 58-73-1) is a chemical compound with molecular formula C17H21NO and molecular weight 255.16231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzhydryloxy-N,N-dimethylethanamine
Also Known As: diphenhydramine, Benzhydramine, Alledryl, Benadryl, Probedryl
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H21NO |
| Molecular Weight | 255.16231 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.16231 Da |
| Heavy Atoms | 19 |
| Complexity | 211.0 |
| Melting Point | 161-162 |
| Boiling Point | 150-165 °C at 2.00E+00 mm Hg |
| Solubility | 3060 |
| SMILES | CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | ZZVUWRFHKOJYTH-UHFFFAOYSA-N |
Product Description
Applications: Diphenhydramine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diphenhydramine (CAS 58-73-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Diphenhydramine (CAS 58-73-1) is a pharmaceutical intermediate with the molecular formula C17H21NO and a molecular weight of 255.16 g/mol. Key physical properties include a solubility: 3060. It is also known as diphenhydramine and Benzhydramine.
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 Diphenhydramine
Property Insights of Diphenhydramine
The XLogP value of 3.3 indicates that Diphenhydramine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Diphenhydramine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenhydramine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diphenhydramine?
The CAS number of Diphenhydramine is 58-73-1.
What is the molecular formula of Diphenhydramine?
The molecular formula of Diphenhydramine is C17H21NO.
What is the molecular weight of Diphenhydramine?
The molecular weight of Diphenhydramine is 255.16231 g/mol.
What are the applications of Diphenhydramine?
Diphenhydramine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diphenhydramine (CAS 58-73-1) with...
Where can I buy Diphenhydramine?
You can request a quote for Diphenhydramine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diphenhydramine?
Yes, CoreyChem provides custom synthesis services for Diphenhydramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.