TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-4-iodo-5-methoxyphenyl)-4,5,6,7-tetrahydro- (CAS 134882-54-5) is a chemical compound with molecular formula C15H13FINO3 and molecular weight 400.99243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-fluoro-4-iodo-5-methoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-4-iodo-5-methoxyphenyl)-4,5,6,7-tetrahydro-, 2-(2-fluoro-4-iodo-5-methoxy-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione, 2-(2-Fluoro-4-iodo-5-methoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-(2-fluoro-4-iodo-5-methoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
| Molecular Formula | C15H13FINO3 |
| Molecular Weight | 400.99243 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.99243 Da |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
| SMILES | COC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)I |
| InChIKey | ZTMKKPNRJCKQDL-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-4-iodo-5-methoxyphenyl)-4,5,6,7-tetrahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-4-iodo-5-methoxyphenyl)-4,5,6,7-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-4-iodo-5-methoxyphenyl)-4,5,6,7-tetrahydro- has 0 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 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-4-iodo-5-methoxyphenyl)-4,5,6,7-tetrahydro- is 134882-54-5.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-4-iodo-5-methoxyphenyl)-4,5,6,7-tetrahydro- is C15H13FINO3.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-4-iodo-5-methoxyphenyl)-4,5,6,7-tetrahydro- is 400.99243 g/mol.
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