TL;DR: Methanone, (3-hydroxybenzo[b]thien-2-yl)phenyl- (CAS 15776-28-0) is a chemical compound with molecular formula C15H10O2S and molecular weight 254.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-hydroxy-1-benzothiophen-2-yl)-phenylmethanone
Also Known As: 2-benzoyl-1-benzothiophen-3-ol, 2-benzoyl-benzo[b]thiophen-3-ol, 2-benzoylbenzo[b]-thiophen-3-ol, 2-Benzoylbenzo[b]thiophene-3-ol, 2-benzoyl-benzo[b]-thiophen-3-ol
| Molecular Formula | C15H10O2S |
| Molecular Weight | 254.04015 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.04015 Da |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3S2)O |
| InChIKey | ALJWLHQGTSSBHL-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that Methanone, (3-hydroxybenzo[b]thien-2-yl)phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (3-hydroxybenzo[b]thien-2-yl)phenyl-. Following Lipinski's Rule of Five, Methanone, (3-hydroxybenzo[b]thien-2-yl)phenyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methanone, (3-hydroxybenzo[b]thien-2-yl)phenyl- is 15776-28-0.
The molecular formula of Methanone, (3-hydroxybenzo[b]thien-2-yl)phenyl- is C15H10O2S.
The molecular weight of Methanone, (3-hydroxybenzo[b]thien-2-yl)phenyl- is 254.04015 g/mol.
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