TL;DR: (2R)-2-(2,4-difluorophenyl)-1-[3-[(Z)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol (CAS 103961-78-0) is a chemical compound with molecular formula C24H20F6N6O2 and molecular weight 538.1552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-(2,4-difluorophenyl)-1-[3-[2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
Also Known As: (2R)-2-(2,4-difluorophenyl)-1-[3-[(Z)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C24H20F6N6O2 |
| Molecular Weight | 538.1552 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 538.1552 Da |
| Heavy Atoms | 38 |
| Complexity | 777.0 |
| SMILES | C1=CC(=CC=C1C=CC2=NN(C=N2)C[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O)OCC(C(F)F)(F)F |
| InChIKey | FZEJTXCSLUORDW-HSZRJFAPSA-N |
The XLogP value of 4.3 indicates that (2R)-2-(2,4-difluorophenyl)-1-[3-[(Z)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-2-(2,4-difluorophenyl)-1-[3-[(Z)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol. Following Lipinski's Rule of Five, (2R)-2-(2,4-difluorophenyl)-1-[3-[(Z)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2R)-2-(2,4-difluorophenyl)-1-[3-[(Z)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is 103961-78-0.
The molecular formula of (2R)-2-(2,4-difluorophenyl)-1-[3-[(Z)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is C24H20F6N6O2.
The molecular weight of (2R)-2-(2,4-difluorophenyl)-1-[3-[(Z)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is 538.1552 g/mol.
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