TL;DR: 4-Nitro-5-methoxytryptamine (CAS 107806-90-6) is a chemical compound with molecular formula C11H13N3O3 and molecular weight 235.09569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-methoxy-4-nitro-1H-indol-3-yl)ethanamine
Also Known As: 4-Nitro-5-methoxytryptamine, 2-(5-methoxy-4-nitro-1H-indol-3-yl)ethanamine, 2-(5-Methoxy-4-nitro-1H-indol-3-yl)ethan-1-amine, 1H-Indole-3-ethanamine,5-methoxy-4-nitro-, hydrochloride (1:1)
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H13N3O3 |
| Molecular Weight | 235.09569 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 96.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09569 Da |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
| SMILES | COC1=C(C2=C(C=C1)NC=C2CCN)[N+](=O)[O-] |
| InChIKey | XSQINWNNKSQCOH-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-5-methoxytryptamine. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-5-methoxytryptamine. Following Lipinski's Rule of Five, 4-Nitro-5-methoxytryptamine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Nitro-5-methoxytryptamine is 107806-90-6.
The molecular formula of 4-Nitro-5-methoxytryptamine is C11H13N3O3.
The molecular weight of 4-Nitro-5-methoxytryptamine is 235.09569 g/mol.
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