TL;DR: 1-(3-ethoxyphenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CAS 874394-88-4) is a chemical compound with molecular formula C26H17FN2O4S and molecular weight 472.0893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-ethoxyphenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: 1-(3-ethoxyphenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 1-(3-ethoxyphenyl)-2-(6-fluorobenzothiazol-2-yl)chromeno[2,3-c]3-pyrroline-3,9 -dione, 1-(3-ethoxyphenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione, 1-(3-ethoxyphenyl)-2-(6-fluorobenzo[d]thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C26H17FN2O4S |
| Molecular Weight | 472.0893 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.0893 Da |
| Heavy Atoms | 34 |
| Complexity | 868.0 |
| SMILES | CCOC1=CC=CC(=C1)C2C3=C(C(=O)N2C4=NC5=C(S4)C=C(C=C5)F)OC6=CC=CC=C6C3=O |
| InChIKey | BUFOXHMNORNYET-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 1-(3-ethoxyphenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-ethoxyphenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione. Following Lipinski's Rule of Five, 1-(3-ethoxyphenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(3-ethoxyphenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is 874394-88-4.
The molecular formula of 1-(3-ethoxyphenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is C26H17FN2O4S.
The molecular weight of 1-(3-ethoxyphenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is 472.0893 g/mol.
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