Itrizole
TL;DR: Itrizole (CAS 84625-61-6) is a chemical compound with molecular formula C35H38Cl2N8O4 and molecular weight 704.2393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
itraconazole
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Also Known As: itraconazole, Itrizole, Oriconazole, Itraconazol, Canditral
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C35H38Cl2N8O4 |
| Molecular Weight | 704.2393 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 704.2393 Da |
| Heavy Atoms | 49 |
| Complexity | 1120.0 |
| SMILES | CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl |
| InChIKey | VHVPQPYKVGDNFY-UHFFFAOYSA-N |
Chemical Property Profile of Itrizole
Property Insights of Itrizole
The XLogP value of 5.7 indicates that Itrizole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Itrizole. Following Lipinski's Rule of Five, Itrizole has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Itrizole?
The CAS number of Itrizole is 84625-61-6.
What is the molecular formula of Itrizole?
The molecular formula of Itrizole is C35H38Cl2N8O4.
What is the molecular weight of Itrizole?
The molecular weight of Itrizole is 704.2393 g/mol.
Where can I buy Itrizole?
You can request a quote for Itrizole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Itrizole?
Yes, CoreyChem provides custom synthesis services for Itrizole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.