Ketoconazole
TL;DR: Ketoconazole (CAS 65277-42-1) 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-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Also Known As: ketoconazole, Nizoral, Levoketoconazole, Panfungol, Ketoderm
Application Areas
Top 5 of 16 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 |
| Melting Point | 146 |
| Vapor Pressure | Vapor pressure, Pa at 25 °C: (negligible) |
| Solubility | 0.0866 mg/L |
| SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
| InChIKey | XMAYWYJOQHXEEK-ZEQKJWHPSA-N |
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 65277-42-1.
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.
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.