TL;DR: 1,2-Ethanediamine, N'-(4-benzo(b)thien-2-yl-2-quinazolinyl)-N,N-dimethyl- (CAS 124959-62-2) is a chemical compound with molecular formula C20H20N4S and molecular weight 348.14087 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(1-benzothiophen-2-yl)quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine
Also Known As: 1,2-Ethanediamine, N'-(4-benzo(b)thien-2-yl-2-quinazolinyl)-N,N-dimethyl-, 4-(Benzo(b)thien-2-yl)-2-((2-(dimethylamino)ethyl)amino)quinazoline, N-[4-(1-benzothiophen-2-yl)quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine, 1,2-Ethanediamine,N'-(4-benzo(b)thien-2-yl-2-quinazolinyl)-N,N-dimethyl, 4-(Benzo[b]thien-2-yl)-2-[[2-(dimethylamino)ethyl]amino]quinazoline
| Molecular Formula | C20H20N4S |
| Molecular Weight | 348.14087 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.14087 Da |
| Heavy Atoms | 25 |
| Complexity | 432.0 |
| SMILES | CN(C)CCNC1=NC2=CC=CC=C2C(=N1)C3=CC4=CC=CC=C4S3 |
| InChIKey | HYSZURUKXLLNHD-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 1,2-Ethanediamine, N'-(4-benzo(b)thien-2-yl-2-quinazolinyl)-N,N-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Ethanediamine, N'-(4-benzo(b)thien-2-yl-2-quinazolinyl)-N,N-dimethyl-. Following Lipinski's Rule of Five, 1,2-Ethanediamine, N'-(4-benzo(b)thien-2-yl-2-quinazolinyl)-N,N-dimethyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,2-Ethanediamine, N'-(4-benzo(b)thien-2-yl-2-quinazolinyl)-N,N-dimethyl- is 124959-62-2.
The molecular formula of 1,2-Ethanediamine, N'-(4-benzo(b)thien-2-yl-2-quinazolinyl)-N,N-dimethyl- is C20H20N4S.
The molecular weight of 1,2-Ethanediamine, N'-(4-benzo(b)thien-2-yl-2-quinazolinyl)-N,N-dimethyl- is 348.14087 g/mol.
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