TL;DR: (3S,4R)-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride (CAS 1423037-48-2) is a chemical compound with molecular formula C11H13BrClNO2 and molecular weight 304.9818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(3-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
Also Known As: (+/-)-TRANS-4-(3-BROMO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID-HCL, (3S,4R)-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride, (+/-)-Trans-4-(3-bromophenyl)pyrrolidine-3-carboxylic acid HCl, trans-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid hydrochloride, (3R,4R)-4-(3-bromophenyl)pyrrolidine-3-carboxylic Acid Hydrochloride
| Molecular Formula | C11H13BrClNO2 |
| Molecular Weight | 304.9818 g/mol |
| XLogP | 2.2585 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.9818 Da |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CC(=CC=C2)Br.Cl |
| InChIKey | RIBXZLYDHCWZCF-BAUSSPIASA-N |
The XLogP value of 2.2585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4R)-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride. With a topological polar surface area (TPSA) of 49.3 Ų, (3S,4R)-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4R)-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3S,4R)-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride is 1423037-48-2.
The molecular formula of (3S,4R)-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride is C11H13BrClNO2.
The molecular weight of (3S,4R)-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride is 304.9818 g/mol.
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