TL;DR: Quiflapon (CAS 136668-42-3) is a chemical compound with molecular formula C34H35ClN2O3S and molecular weight 586.2057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
Also Known As: Quiflapon, Quiflapon [INN], quiflaponum, betulinic acid, Quiflapon free acid
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C34H35ClN2O3S |
| Molecular Weight | 586.2057 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 586.2057 Da |
| Heavy Atoms | 41 |
| Complexity | 873.0 |
| SMILES | CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O |
| InChIKey | NZOONKHCNQFYCI-UHFFFAOYSA-N |
The XLogP value of 8.2 indicates that Quiflapon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Quiflapon. Following Lipinski's Rule of Five, Quiflapon has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Quiflapon is 136668-42-3.
The molecular formula of Quiflapon is C34H35ClN2O3S.
The molecular weight of Quiflapon is 586.2057 g/mol.
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