TL;DR: 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(2-thenoyl)- (CAS 50332-08-6) is a chemical compound with molecular formula C17H13NO5S and molecular weight 343.05145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-methyl-5-(thiophene-2-carbonyl)-[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, 6-METHYL-5-(2-THENOYL)-, 6-Methyl-5-(2-thenoyl)-5H-1,3-dioxolo(4,5-f)indole-7-acetic acid, 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(2-thienylcarbonyl)-, 6-Methyl-5-(2-thenoyl)-5H-1,3-dioxolo[4,5-f]indole-7-acetic acid, 2-[6-methyl-5-(thiophene-2-carbonyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
| Molecular Formula | C17H13NO5S |
| Molecular Weight | 343.05145 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.05145 Da |
| Heavy Atoms | 24 |
| Complexity | 529.0 |
| SMILES | CC1=C(C2=CC3=C(C=C2N1C(=O)C4=CC=CS4)OCO3)CC(=O)O |
| InChIKey | HHWDIOVTZBAVKQ-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(2-thenoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(2-thenoyl)-. Following Lipinski's Rule of Five, 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(2-thenoyl)- has 1 hydrogen bond donor(s) and 6 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, 6-methyl-5-(2-thenoyl)- is 50332-08-6.
The molecular formula of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(2-thenoyl)- is C17H13NO5S.
The molecular weight of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(2-thenoyl)- is 343.05145 g/mol.
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