TL;DR: (2S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CAS 1212449-83-6) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
Also Known As: (2S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid, (S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid, 1-(8-ethyl-7-thia-3,5-diazabicyclo[4.3.0]nona-1,3,5,8-tetraen-2-yl)pyrrolidine-2-carboxylic Acid
| Molecular Formula | C13H15N3O2S |
| Molecular Weight | 277.0885 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0885 Da |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
| SMILES | CCC1=CC2=C(N=CN=C2S1)N3CCC[C@H]3C(=O)O |
| InChIKey | RUSQAIJKVNROIK-JTQLQIEISA-N |
The XLogP value of 3.0 indicates that (2S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is 1212449-83-6.
The molecular formula of (2S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is C13H15N3O2S.
The molecular weight of (2S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is 277.0885 g/mol.
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