(+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl
TL;DR: (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl (CAS 1049727-55-0) is a chemical compound with molecular formula C11H13ClFNO2 and molecular weight 245.06189 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
Also Known As: (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl, (3S,4R)-4-(3-Fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride, rac-(3r,4s)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid hydrochloride, (3S,4R)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid hydrochloride, (+/-)-TRANS-4-(3-FLUORO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
Technical Specifications
| Molecular Formula | C11H13ClFNO2 |
| Molecular Weight | 245.06189 g/mol |
| XLogP | 1.6351 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.06189 Da |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CC(=CC=C2)F.Cl |
| InChIKey | MTSJSYQXDQGUCW-BAUSSPIASA-N |
Chemical Property Profile of (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl
Property Insights of (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl
The XLogP value of 1.6351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl. With a topological polar surface area (TPSA) of 49.3 Ų, (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The CAS number of (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl is 1049727-55-0.
What is the molecular formula of (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The molecular formula of (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl is C11H13ClFNO2.
What is the molecular weight of (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The molecular weight of (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl is 245.06189 g/mol.
Where can I buy (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
You can request a quote for (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
Yes, CoreyChem provides custom synthesis services for (+/-)-trans-4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.