TL;DR: CTK8J0485 (CAS 53068-37-4) is a chemical compound with molecular formula C20H20ClN3O3S and molecular weight 417.0914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chlorophenyl)methylidenehydrazinylidene]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
Also Known As: 4-Chlorobenzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone
| Molecular Formula | C20H20ClN3O3S |
| Molecular Weight | 417.0914 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.0914 Da |
| Heavy Atoms | 28 |
| Complexity | 581.0 |
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)CSC2=NN=CC3=CC=C(C=C3)Cl)OC |
| InChIKey | KDMJSEXHSYMESW-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that CTK8J0485 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK8J0485. Following Lipinski's Rule of Five, CTK8J0485 has 0 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 CTK8J0485 is 53068-37-4.
The molecular formula of CTK8J0485 is C20H20ClN3O3S.
The molecular weight of CTK8J0485 is 417.0914 g/mol.
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