TL;DR: 1h-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,1-[2-(acetyloxy)ethyl]- (CAS 141650-54-6) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-acetyloxyethyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid
Also Known As: 1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid,1-[2-(acetyloxy)ethyl]-, 9-(2-acetyloxyethyl)-2,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene-7-carboxylic Acid
| Molecular Formula | C12H12N2O4 |
| Molecular Weight | 248.07971 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.07971 Da |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
| SMILES | CC(=O)OCCN1C=C(C2=C1N=CC=C2)C(=O)O |
| InChIKey | NIWSUXJPNLYKNF-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1h-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,1-[2-(acetyloxy)ethyl]-. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,1-[2-(acetyloxy)ethyl]-. Following Lipinski's Rule of Five, 1h-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,1-[2-(acetyloxy)ethyl]- 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 1h-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,1-[2-(acetyloxy)ethyl]- is 141650-54-6.
The molecular formula of 1h-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,1-[2-(acetyloxy)ethyl]- is C12H12N2O4.
The molecular weight of 1h-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,1-[2-(acetyloxy)ethyl]- is 248.07971 g/mol.
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