TL;DR: N-hydroxy-N-[1-(3-methoxy-1-benzothien-2-yl)ethyl]urea (CAS 118565-21-2) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxy-1-[1-(3-methoxy-1-benzothiophen-2-yl)ethyl]urea
Also Known As: 1-hydroxy-1-[1-(3-methoxy-1-benzothiophen-2-yl)ethyl]urea, 1-hydroxy-1-[1-(3-methoxybenzothiophen-2-yl)ethyl]urea, N-hydroxy-N-[1-(3-methoxy-1-benzothien-2-yl)ethyl]urea, 1-[1-(3-Methoxybenzo[b]thiophen-2-yl)ethyl]-1-hydroxyurea, 1-hydroxy-1-(1-(3-methoxybenzo[b]thiophen-2-yl)ethyl)urea
| Molecular Formula | C12H14N2O3S |
| Molecular Weight | 266.0725 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0725 Da |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
| SMILES | CC(C1=C(C2=CC=CC=C2S1)OC)N(C(=O)N)O |
| InChIKey | QCJLSLKIBCZLRS-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-hydroxy-N-[1-(3-methoxy-1-benzothien-2-yl)ethyl]urea. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-hydroxy-N-[1-(3-methoxy-1-benzothien-2-yl)ethyl]urea. Following Lipinski's Rule of Five, N-hydroxy-N-[1-(3-methoxy-1-benzothien-2-yl)ethyl]urea has 2 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 N-hydroxy-N-[1-(3-methoxy-1-benzothien-2-yl)ethyl]urea is 118565-21-2.
The molecular formula of N-hydroxy-N-[1-(3-methoxy-1-benzothien-2-yl)ethyl]urea is C12H14N2O3S.
The molecular weight of N-hydroxy-N-[1-(3-methoxy-1-benzothien-2-yl)ethyl]urea is 266.0725 g/mol.
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