Posaconazole Impurity O
TL;DR: Posaconazole Impurity O (CAS 161532-65-6) is a chemical compound with molecular formula C37H42F2N8O3 and molecular weight 684.3348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-pentan-3-yl-1,2,4-triazol-3-one
Also Known As: Posaconazole Impurity O, SCH 51048, DESHYDROXY POSACONAZOLE, Posaconazole Impurity 39, Posaconazole Impurity 49
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C37H42F2N8O3 |
| Molecular Weight | 684.3348 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 684.3348 Da |
| Heavy Atoms | 50 |
| Complexity | 1130.0 |
| SMILES | CCC(CC)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F |
| InChIKey | OPFHZSVWSCMEPV-AYAMJOBCSA-N |
Chemical Property Profile of Posaconazole Impurity O
Property Insights of Posaconazole Impurity O
The XLogP value of 5.7 indicates that Posaconazole Impurity O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Posaconazole Impurity O. Following Lipinski's Rule of Five, Posaconazole Impurity O has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Posaconazole Impurity O?
The CAS number of Posaconazole Impurity O is 161532-65-6.
What is the molecular formula of Posaconazole Impurity O?
The molecular formula of Posaconazole Impurity O is C37H42F2N8O3.
What is the molecular weight of Posaconazole Impurity O?
The molecular weight of Posaconazole Impurity O is 684.3348 g/mol.
Where can I buy Posaconazole Impurity O?
You can request a quote for Posaconazole Impurity O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Posaconazole Impurity O?
Yes, CoreyChem provides custom synthesis services for Posaconazole Impurity O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.