TL;DR: N-Nitrosoindole-3-lactic acid (CAS 117333-21-8) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-3-(1-nitrosoindol-3-yl)propanoic acid
Also Known As: N-Nitrosoindole-3-lactic acid, 2-Hydroxy-(1-N-nitrosoindole)propionic acid, Lactic acid, 3-(1-nitroso-3-indolyl)-, 2-hydroxy-3-(1-nitrosoindol-3-yl)propanoic acid, 1H-Indole-3-propanoic acid, alpha-hydroxy-1-nitroso-
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.06406 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.06406 Da |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2N=O)CC(C(=O)O)O |
| InChIKey | BSAHBIFSJDNPFG-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosoindole-3-lactic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitrosoindole-3-lactic acid. Following Lipinski's Rule of Five, N-Nitrosoindole-3-lactic acid has 2 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 N-Nitrosoindole-3-lactic acid is 117333-21-8.
The molecular formula of N-Nitrosoindole-3-lactic acid is C11H10N2O4.
The molecular weight of N-Nitrosoindole-3-lactic acid is 234.06406 g/mol.
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