TL;DR: 4-Methoxybenzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone (CAS 53068-40-9) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Also Known As: 4-Methoxybenzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone
| Molecular Formula | C21H23N3O4S |
| Molecular Weight | 413.14093 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.14093 Da |
| Heavy Atoms | 29 |
| Complexity | 592.0 |
| SMILES | COC1=CC=C(C=C1)C=NN=C2N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC |
| InChIKey | MBEGIIAGBXCSOL-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 4-Methoxybenzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxybenzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone. Following Lipinski's Rule of Five, 4-Methoxybenzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Methoxybenzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone is 53068-40-9.
The molecular formula of 4-Methoxybenzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone is C21H23N3O4S.
The molecular weight of 4-Methoxybenzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone is 413.14093 g/mol.
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