TL;DR: 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-acetyl-2-methyl- (CAS 50332-09-7) is a chemical compound with molecular formula C14H13NO5 and molecular weight 275.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-acetyl-2-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)acetic acid
Also Known As: 5-Acetyl-2-methyl-5H-1,3-dioxolo(4,5-f)indole-7-acetic acid, 5H-1,3-DIOXOLO(4,5-f)INDOLE-7-ACETIC ACID, 5-ACETYL-2-METHYL-, 5-Acetyl-2-methyl-5H-1,3-dioxolo[4,5-f]indole-7-acetic acid, 2-(5-acetyl-2-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)acetic acid, (5-Acetyl-2-methyl-2H,5H-[1,3]dioxolo[4,5-f]indol-7-yl)acetic acid
| Molecular Formula | C14H13NO5 |
| Molecular Weight | 275.07938 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.07938 Da |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
| SMILES | CC1OC2=C(O1)C=C3C(=C2)C(=CN3C(=O)C)CC(=O)O |
| InChIKey | JSYRJBIDYCPYHZ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-acetyl-2-methyl-. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-acetyl-2-methyl-. Following Lipinski's Rule of Five, 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-acetyl-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 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-acetyl-2-methyl- is 50332-09-7.
The molecular formula of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-acetyl-2-methyl- is C14H13NO5.
The molecular weight of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-acetyl-2-methyl- is 275.07938 g/mol.
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