TL;DR: VU0110848-5 (CAS 1164458-64-3) is a chemical compound with molecular formula C14H16N2O3S2 and molecular weight 324.06024 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
Also Known As: VU0110848-5, (Z)-S-(2-((3-ethyl-6-methoxybenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate, F0620-0026, 2-(acetylsulfanyl)-N-[(2Z)-3-ethyl-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide, S-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
| Molecular Formula | C14H16N2O3S2 |
| Molecular Weight | 324.06024 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.06024 Da |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
| SMILES | CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSC(=O)C |
| InChIKey | DJKDHXHEHWWVKJ-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0110848-5. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0110848-5. Following Lipinski's Rule of Five, VU0110848-5 has 0 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 VU0110848-5 is 1164458-64-3.
The molecular formula of VU0110848-5 is C14H16N2O3S2.
The molecular weight of VU0110848-5 is 324.06024 g/mol.
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