TL;DR: (R)-gamma-(3,4-difluoro-benzyl)-L-proline-HCl (CAS 1049743-09-0) is a chemical compound with molecular formula C12H14ClF2NO2 and molecular weight 277.0681 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-4-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: (R)-gamma-(3,4-difluoro-benzyl)-L-proline-HCl, H-Pro{4-Bzl(3,4-F2)}-OH HCl, (2S,4R)-4-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride, trans-4-(3,4-Difluorobenzyl)-L-proline hydrochloride, (R)-GAMMA-(3,4-DIFLUORO-BENZYL)-L-PROLINE HYDROCHLORIDE
| Molecular Formula | C12H14ClF2NO2 |
| Molecular Weight | 277.0681 g/mol |
| XLogP | 1.9918 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0681 Da |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
| SMILES | C1[C@H](CN[C@@H]1C(=O)O)CC2=CC(=C(C=C2)F)F.Cl |
| InChIKey | MCIYUVYFHTWUSB-NINOIYOQSA-N |
The XLogP value of 1.9918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-gamma-(3,4-difluoro-benzyl)-L-proline-HCl. With a topological polar surface area (TPSA) of 49.3 Ų, (R)-gamma-(3,4-difluoro-benzyl)-L-proline-HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (R)-gamma-(3,4-difluoro-benzyl)-L-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)-gamma-(3,4-difluoro-benzyl)-L-proline-HCl is 1049743-09-0.
The molecular formula of (R)-gamma-(3,4-difluoro-benzyl)-L-proline-HCl is C12H14ClF2NO2.
The molecular weight of (R)-gamma-(3,4-difluoro-benzyl)-L-proline-HCl is 277.0681 g/mol.
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