TL;DR: (R)-1-(tert-Butoxycarbonyl)-2-(2,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid (CAS 1217856-28-4) is a chemical compound with molecular formula C17H21Cl2NO4 and molecular weight 373.08478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(2,4-dichlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: starbld0000451, (R)-1-(tert-Butoxycarbonyl)-2-(2,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid, BOC-(R)-ALPHA-(2,4-DICHLORO-BENZYL)-PROLINE, Boc-{Bzl(2,4-Cl2)}Pro-OH, 6629AC
| Molecular Formula | C17H21Cl2NO4 |
| Molecular Weight | 373.08478 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.08478 Da |
| Heavy Atoms | 24 |
| Complexity | 493.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@@]1(CC2=C(C=C(C=C2)Cl)Cl)C(=O)O |
| InChIKey | RTAALXHRKJFITN-QGZVFWFLSA-N |
The XLogP value of 4.3 indicates that (R)-1-(tert-Butoxycarbonyl)-2-(2,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-1-(tert-Butoxycarbonyl)-2-(2,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (R)-1-(tert-Butoxycarbonyl)-2-(2,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid has 1 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)-1-(tert-Butoxycarbonyl)-2-(2,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid is 1217856-28-4.
The molecular formula of (R)-1-(tert-Butoxycarbonyl)-2-(2,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid is C17H21Cl2NO4.
The molecular weight of (R)-1-(tert-Butoxycarbonyl)-2-(2,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid is 373.08478 g/mol.
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