TL;DR: Benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone (CAS 53068-35-2) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzylidenehydrazinylidene)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
Also Known As: Benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone
| Molecular Formula | C20H21N3O3S |
| Molecular Weight | 383.13037 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.13037 Da |
| Heavy Atoms | 27 |
| Complexity | 549.0 |
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)CSC2=NN=CC3=CC=CC=C3)OC |
| InChIKey | LMDQHECIIBSFAA-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 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 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone. Following Lipinski's Rule of Five, Benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone 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 Benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone is 53068-35-2.
The molecular formula of Benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone is C20H21N3O3S.
The molecular weight of Benzaldehyde [3-[2-(3,4-dimethoxyphenyl)ethyl ]-4-oxothiazolidin-2-ylidene]hydrazone is 383.13037 g/mol.
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