TL;DR: PD 81723 (CAS 132861-87-1) is a chemical compound with molecular formula C14H12F3NOS and molecular weight 299.05917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-amino-4,5-dimethylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
Also Known As: PD 81723, (2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone, (2-AMINO-4,5-DIMETHYL-3-THIENYL)-[3-(TRIFLUOROMETHYL)PHENYL]METHANONE, PD 81,723, 6013AA
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H12F3NOS |
| Molecular Weight | 299.05917 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.05917 Da |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
| SMILES | CC1=C(SC(=C1C(=O)C2=CC(=CC=C2)C(F)(F)F)N)C |
| InChIKey | KKDKAWKYGCUOGR-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that PD 81723 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for PD 81723. Following Lipinski's Rule of Five, PD 81723 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of PD 81723 is 132861-87-1.
The molecular formula of PD 81723 is C14H12F3NOS.
The molecular weight of PD 81723 is 299.05917 g/mol.
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