TL;DR: Indole-1-acetic acid, 3-(p-fluorobenzoyl)-6-methoxy-2-methyl- (CAS 25803-21-8) is a chemical compound with molecular formula C19H16FNO4 and molecular weight 341.10632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(4-fluorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetic acid
Also Known As: Fluoromethacin, RU 4486, INDOLE-1-ACETIC ACID, 3-(p-FLUOROBENZOYL)-6-METHOXY-2-METHYL-, 5-21-12-00657 (Beilstein Handbook Reference), Carboxymethyl-1 methyl-2 p.fluorobenzoyl-3 indole
| Molecular Formula | C19H16FNO4 |
| Molecular Weight | 341.10632 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.10632 Da |
| Heavy Atoms | 25 |
| Complexity | 506.0 |
| SMILES | CC1=C(C2=C(N1CC(=O)O)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)F |
| InChIKey | NSNZBVZOKLXXFU-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Indole-1-acetic acid, 3-(p-fluorobenzoyl)-6-methoxy-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole-1-acetic acid, 3-(p-fluorobenzoyl)-6-methoxy-2-methyl-. Following Lipinski's Rule of Five, Indole-1-acetic acid, 3-(p-fluorobenzoyl)-6-methoxy-2-methyl- has 1 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 Indole-1-acetic acid, 3-(p-fluorobenzoyl)-6-methoxy-2-methyl- is 25803-21-8.
The molecular formula of Indole-1-acetic acid, 3-(p-fluorobenzoyl)-6-methoxy-2-methyl- is C19H16FNO4.
The molecular weight of Indole-1-acetic acid, 3-(p-fluorobenzoyl)-6-methoxy-2-methyl- is 341.10632 g/mol.
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