TL;DR: Methyl 3-hydroxythieno(2,3-b)pyridine-2-carboxylate (CAS 111043-01-7) is a chemical compound with molecular formula C9H7NO3S and molecular weight 209.01466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
Also Known As: methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate, 4F-390S, 3-hydroxy-2-methoxycarbonylthieno[2,3-b]pyridine, 2-Carbomethoxy-3-hydroxythieno<2,3-b>pyridine, AI-204/43372114
| Molecular Formula | C9H7NO3S |
| Molecular Weight | 209.01466 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.01466 Da |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
| SMILES | COC(=O)C1=C(C2=C(S1)N=CC=C2)O |
| InChIKey | VNGMVGWUWHNBBW-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxythieno(2,3-b)pyridine-2-carboxylate. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-hydroxythieno(2,3-b)pyridine-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-hydroxythieno(2,3-b)pyridine-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 3-hydroxythieno(2,3-b)pyridine-2-carboxylate is 111043-01-7.
The molecular formula of Methyl 3-hydroxythieno(2,3-b)pyridine-2-carboxylate is C9H7NO3S.
The molecular weight of Methyl 3-hydroxythieno(2,3-b)pyridine-2-carboxylate is 209.01466 g/mol.
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