TL;DR: 4-(Dimethylamino)benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone (CAS 53068-43-2) is a chemical compound with molecular formula C22H26N4O3S and molecular weight 426.17258 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-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Also Known As: 4-(Dimethylamino)benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone, BENZALDEHYDE,4-(DIMETHYLAMINO)-,2-[3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-4-OXO-2-THIAZOLIDINYLIDENE]HYDRAZONE
| Molecular Formula | C22H26N4O3S |
| Molecular Weight | 426.17258 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 92.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.17258 Da |
| Heavy Atoms | 30 |
| Complexity | 620.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C=NN=C2N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC |
| InChIKey | RWGPOLWAIOTBEA-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 4-(Dimethylamino)benzaldehyde [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 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Dimethylamino)benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone. Following Lipinski's Rule of Five, 4-(Dimethylamino)benzaldehyde [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-(Dimethylamino)benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone is 53068-43-2.
The molecular formula of 4-(Dimethylamino)benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone is C22H26N4O3S.
The molecular weight of 4-(Dimethylamino)benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone is 426.17258 g/mol.
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