TL;DR: 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, ethyl ester (CAS 119377-11-6) is a chemical compound with molecular formula C19H15N3O2 and molecular weight 317.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-pyridin-3-yl-9H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, ethyl ester, Ethyl 1-(3-pyridinyl)-9H-pyrido(3,4-b)indole-3-carboxylate, 1-(3-Pyridyl)-beta-carboline-3-carboxylic acid ethyl ester, ETHYL 1-(PYRIDIN-3-YL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE, ethyl 1-pyridin-3-yl-9H-pyrido[3,4-b]indole-3-carboxylate
| Molecular Formula | C19H15N3O2 |
| Molecular Weight | 317.11642 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.11642 Da |
| Heavy Atoms | 24 |
| Complexity | 458.0 |
| SMILES | CCOC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CN=CC=C4 |
| InChIKey | UEIWOYFJYQFQQA-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, ethyl ester. Following Lipinski's Rule of Five, 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, ethyl ester has 1 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 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, ethyl ester is 119377-11-6.
The molecular formula of 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, ethyl ester is C19H15N3O2.
The molecular weight of 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, ethyl ester is 317.11642 g/mol.
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