TL;DR: methyl 5,6,7-trimethoxy-1H-indole-2-carboxylate (CAS 118292-37-8) is a chemical compound with molecular formula C13H15NO5 and molecular weight 265.09503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5,6,7-trimethoxy-1H-indole-2-carboxylate
Also Known As: methyl 5,6,7-trimethoxy-1H-indole-2-carboxylate, ZERO/005683, methyl 5,6,7-trimethoxyindole-2-carboxylate, 1H-Indole-2-carboxylic acid, 5,6,7-trimethoxy-, methyl ester, J1.998.104E
| Molecular Formula | C13H15NO5 |
| Molecular Weight | 265.09503 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 69.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.09503 Da |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
| SMILES | COC1=C(C(=C2C(=C1)C=C(N2)C(=O)OC)OC)OC |
| InChIKey | ZSXHVDGSRITZMF-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5,6,7-trimethoxy-1H-indole-2-carboxylate. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5,6,7-trimethoxy-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 5,6,7-trimethoxy-1H-indole-2-carboxylate 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 methyl 5,6,7-trimethoxy-1H-indole-2-carboxylate is 118292-37-8.
The molecular formula of methyl 5,6,7-trimethoxy-1H-indole-2-carboxylate is C13H15NO5.
The molecular weight of methyl 5,6,7-trimethoxy-1H-indole-2-carboxylate is 265.09503 g/mol.
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