TL;DR: Tolmetin (CAS 26171-23-3) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
Also Known As: tolmetin, Tolmetine, Tolectin, Tolmetinum, Tolmetina
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.1052 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.1052 Da |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
| Melting Point | 156 |
| Solubility | 222 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O |
| InChIKey | UPSPUYADGBWSHF-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tolmetin. With a topological polar surface area (TPSA) of 59.3 Ų, Tolmetin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tolmetin 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 Tolmetin is 26171-23-3.
The molecular formula of Tolmetin is C15H15NO3.
The molecular weight of Tolmetin is 257.1052 g/mol.
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