TL;DR: 2-(5-Methylthiophene-2-carbonyl)benzoic acid (CAS 152567-82-3) is a chemical compound with molecular formula C13H10O3S and molecular weight 246.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-methylthiophene-2-carbonyl)benzoic acid
Also Known As: 2-(5-methylthiophene-2-carbonyl)benzoic acid, Bionet2_001226, 5-Methyl-2-thienylcarbonyl benzoic acid, 2-[(5-methyl-2-thienyl)carbonyl]benzoic acid, 2-(5-Methyl-2-thenoyl)benzoic acid
| Molecular Formula | C13H10O3S |
| Molecular Weight | 246.03506 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.03506 Da |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
| SMILES | CC1=CC=C(S1)C(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | IDTRGLSKMOUSHE-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-(5-Methylthiophene-2-carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Methylthiophene-2-carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-(5-Methylthiophene-2-carbonyl)benzoic acid has 1 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 2-(5-Methylthiophene-2-carbonyl)benzoic acid is 152567-82-3.
The molecular formula of 2-(5-Methylthiophene-2-carbonyl)benzoic acid is C13H10O3S.
The molecular weight of 2-(5-Methylthiophene-2-carbonyl)benzoic acid is 246.03506 g/mol.
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