TL;DR: DuP 532 (CAS 124750-95-4) is a chemical compound with molecular formula C23H19F5N6O2 and molecular weight 506.14896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Also Known As: Dup 532, dup532, PDSP1_000123, PDSP1_000124, PDSP2_000123
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C23H19F5N6O2 |
| Molecular Weight | 506.14896 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.14896 Da |
| Heavy Atoms | 36 |
| Complexity | 751.0 |
| SMILES | CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C(F)(F)F)(F)F |
| InChIKey | RQGDXPDTZWGCQI-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that DuP 532 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DuP 532. Following Lipinski's Rule of Five, DuP 532 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DuP 532 is 124750-95-4.
The molecular formula of DuP 532 is C23H19F5N6O2.
The molecular weight of DuP 532 is 506.14896 g/mol.
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