TL;DR: (R)-gamma-(3-Benzothienyl-methyl)-L-proline-HCl (CAS 1049753-14-1) is a chemical compound with molecular formula C14H16ClNO2S and molecular weight 297.05902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-4-(1-benzothiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: (R)-gamma-(3-Benzothienyl-methyl)-L-proline-HCl, H-Pro{4-(3-BztMe)}-OH HCl, (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride, (R)-Gamma-(3-benzothienyl-methyl)-l-proline hydrochloride, trans-4-(3-Benzo[b]thienylmethyl)-L-proline hydrochloride
| Molecular Formula | C14H16ClNO2S |
| Molecular Weight | 297.05902 g/mol |
| XLogP | 2.9283 |
| Topological Polar Surface Area (TPSA) | 77.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.05902 Da |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
| SMILES | C1[C@H](CN[C@@H]1C(=O)O)CC2=CSC3=CC=CC=C32.Cl |
| InChIKey | FZZACLIVQLOEMX-KATIXKQHSA-N |
The XLogP value of 2.9283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-gamma-(3-Benzothienyl-methyl)-L-proline-HCl. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-gamma-(3-Benzothienyl-methyl)-L-proline-HCl. Following Lipinski's Rule of Five, (R)-gamma-(3-Benzothienyl-methyl)-L-proline-HCl has 3 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 (R)-gamma-(3-Benzothienyl-methyl)-L-proline-HCl is 1049753-14-1.
The molecular formula of (R)-gamma-(3-Benzothienyl-methyl)-L-proline-HCl is C14H16ClNO2S.
The molecular weight of (R)-gamma-(3-Benzothienyl-methyl)-L-proline-HCl is 297.05902 g/mol.
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