TL;DR: BAS 01555338 (CAS 1208361-84-5) is a chemical compound with molecular formula C15H13N3O2S2 and molecular weight 331.04492 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-(benzamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide
Also Known As: BAS 01555338, AB01330430-02, (E)-N-(benzamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide, N-(N'-Benzoyl-hydrazinocarbothioyl)-3-thiophen-2-yl-acrylamide, (2E)-N-{[2-(phenylcarbonyl)hydrazinyl]carbonothioyl}-3-(thiophen-2-yl)prop-2-enamide
| Molecular Formula | C15H13N3O2S2 |
| Molecular Weight | 331.04492 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.04492 Da |
| Heavy Atoms | 22 |
| Complexity | 448.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CS2 |
| InChIKey | WYUQKKTYDXYFML-CMDGGOBGSA-N |
The XLogP value of 3.3 indicates that BAS 01555338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01555338. Following Lipinski's Rule of Five, BAS 01555338 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 01555338 is 1208361-84-5.
The molecular formula of BAS 01555338 is C15H13N3O2S2.
The molecular weight of BAS 01555338 is 331.04492 g/mol.
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