ketoconazole
TL;DR: ketoconazole (CAS 79156-75-5) is a chemical compound with molecular formula C26H28Cl2N4O4 and molecular weight 530.14874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Also Known As: ketoconazole, Ketoconazol, Nizoral, Fungarest, Fungoral
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H28Cl2N4O4 |
| Molecular Weight | 530.14874 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.14874 Da |
| Heavy Atoms | 36 |
| Complexity | 735.0 |
| SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
| InChIKey | XMAYWYJOQHXEEK-UHFFFAOYSA-N |
Product Description
Applications: ketoconazole is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies ketoconazole (CAS 79156-75-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
ketoconazole is a pharmaceutical intermediate identified by CAS number 79156-75-5 and the molecular formula C26H28Cl2N4O4 and a molecular weight of 530.15 g/mol. It is also known as ketoconazole and Ketoconazol.
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 ketoconazole
Property Insights of ketoconazole
The XLogP value of 4.3 indicates that ketoconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ketoconazole. Following Lipinski's Rule of Five, ketoconazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ketoconazole?
The CAS number of ketoconazole is 79156-75-5.
What is the molecular formula of ketoconazole?
The molecular formula of ketoconazole is C26H28Cl2N4O4.
What is the molecular weight of ketoconazole?
The molecular weight of ketoconazole is 530.14874 g/mol.
What are the applications of ketoconazole?
ketoconazole is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies ketoconazole (CAS 79156-75-5) with custom synthesis available from...
Where can I buy ketoconazole?
You can request a quote for ketoconazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ketoconazole?
Yes, CoreyChem provides custom synthesis services for ketoconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.