TL;DR: 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-benzoyl-6-methyl- (CAS 50332-03-1) is a chemical compound with molecular formula C19H15NO5 and molecular weight 337.09503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-benzoyl-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)acetic acid
Also Known As: 5H-1,3-DIOXOLO(4,5-f)INDOLE-7-ACETIC ACID, 5-BENZOYL-6-METHYL-, 5-Benzoyl-6-methyl-5H-1,3-dioxolo(4,5-f)indole-7-acetic acid, 2-(5-benzoyl-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)acetic acid, 5-Benzoyl-6-methyl-5H-1,3-dioxolo[4,5-f]indole-7-acetic acid, (5-Benzoyl-6-methyl-2H,5H-[1,3]dioxolo[4,5-f]indol-7-yl)acetic acid
| Molecular Formula | C19H15NO5 |
| Molecular Weight | 337.09503 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.09503 Da |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
| SMILES | CC1=C(C2=CC3=C(C=C2N1C(=O)C4=CC=CC=C4)OCO3)CC(=O)O |
| InChIKey | WZLOLPPYPXEDFU-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-benzoyl-6-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-benzoyl-6-methyl-. Following Lipinski's Rule of Five, 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-benzoyl-6-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-benzoyl-6-methyl- is 50332-03-1.
The molecular formula of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-benzoyl-6-methyl- is C19H15NO5.
The molecular weight of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-benzoyl-6-methyl- is 337.09503 g/mol.
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