TL;DR: 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(m-chlorobenzoyl)-6-methyl- (CAS 50332-00-8) is a chemical compound with molecular formula C19H14ClNO5 and molecular weight 371.05606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-(3-chlorobenzoyl)-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-(m-CHLOROBENZOYL)-6-METHYL-, 5-(3-Chlorobenzoyl)-6-methyl-5H-1,3-dioxolo(4,5-f)indole-7-acetic acid, N-Acyl-2-methyl-5,6-methylendioxy-3-indolylysaeure, 5- -6-methyl-5H-1,3-dioxolo[4,5-f]indole-7-aceticacid, 2-[5-(3-chlorobenzoyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
| Molecular Formula | C19H14ClNO5 |
| Molecular Weight | 371.05606 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.05606 Da |
| Heavy Atoms | 26 |
| Complexity | 572.0 |
| SMILES | CC1=C(C2=CC3=C(C=C2N1C(=O)C4=CC(=CC=C4)Cl)OCO3)CC(=O)O |
| InChIKey | OVCHWDFMWVYZBO-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(m-chlorobenzoyl)-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-(m-chlorobenzoyl)-6-methyl-. Following Lipinski's Rule of Five, 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(m-chlorobenzoyl)-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-(m-chlorobenzoyl)-6-methyl- is 50332-00-8.
The molecular formula of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(m-chlorobenzoyl)-6-methyl- is C19H14ClNO5.
The molecular weight of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(m-chlorobenzoyl)-6-methyl- is 371.05606 g/mol.
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