TL;DR: (R)-alpha-(4-thiazolylmethyl)-proline-HCl (CAS 1049729-00-1) is a chemical compound with molecular formula C9H13ClN2O2S and molecular weight 248.03862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: (R)-alpha-(4-thiazolylmethyl)-proline-HCl, H-(4-ThzMe)Pro-OH HCl, 2-(4-Thiazolylmethyl)-L-proline hydrochloride, (R)-alpha-(4-Thiazolylmethyl)-proline hydrochloride, (2R)-2-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
| Molecular Formula | C9H13ClN2O2S |
| Molecular Weight | 248.03862 g/mol |
| XLogP | 1.3142 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.03862 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | C1C[C@@](NC1)(CC2=CSC=N2)C(=O)O.Cl |
| InChIKey | ODGPCCFOUUMYSR-SBSPUUFOSA-N |
The XLogP value of 1.3142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-alpha-(4-thiazolylmethyl)-proline-HCl. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-alpha-(4-thiazolylmethyl)-proline-HCl. Following Lipinski's Rule of Five, (R)-alpha-(4-thiazolylmethyl)-proline-HCl has 3 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 (R)-alpha-(4-thiazolylmethyl)-proline-HCl is 1049729-00-1.
The molecular formula of (R)-alpha-(4-thiazolylmethyl)-proline-HCl is C9H13ClN2O2S.
The molecular weight of (R)-alpha-(4-thiazolylmethyl)-proline-HCl is 248.03862 g/mol.
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