TL;DR: 2-[(3,4,5-Trimethoxyphenyl)methylene]thiazolo[2,3-b]quinazoline-3,5-dione (CAS 1025591-27-8) is a chemical compound with molecular formula C20H16N2O5S and molecular weight 396.078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione
Also Known As: 2-[(3,4,5-trimethoxyphenyl)methylene]thiazolo[2,3-b]quinazoline-3,5-dione, (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione, 2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione, 3,8-diaza-6-thia-5-((3,4,5-trimethoxyphenyl)methylene)tricyclo[7.4.0.0<3,7>]trideca-1(9),7(8),10,12-tetraene-2,4-dione
| Molecular Formula | C20H16N2O5S |
| Molecular Weight | 396.078 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.078 Da |
| Heavy Atoms | 28 |
| Complexity | 695.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N3C(=O)C4=CC=CC=C4N=C3S2 |
| InChIKey | DHILPZIAVDNIAD-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2-[(3,4,5-Trimethoxyphenyl)methylene]thiazolo[2,3-b]quinazoline-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,4,5-Trimethoxyphenyl)methylene]thiazolo[2,3-b]quinazoline-3,5-dione. Following Lipinski's Rule of Five, 2-[(3,4,5-Trimethoxyphenyl)methylene]thiazolo[2,3-b]quinazoline-3,5-dione 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 2-[(3,4,5-Trimethoxyphenyl)methylene]thiazolo[2,3-b]quinazoline-3,5-dione is 1025591-27-8.
The molecular formula of 2-[(3,4,5-Trimethoxyphenyl)methylene]thiazolo[2,3-b]quinazoline-3,5-dione is C20H16N2O5S.
The molecular weight of 2-[(3,4,5-Trimethoxyphenyl)methylene]thiazolo[2,3-b]quinazoline-3,5-dione is 396.078 g/mol.
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