(+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl
TL;DR: (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl (CAS 1049735-02-5) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.06656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
Also Known As: (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl, (3S,4R)-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride, (3R,4R)-4-(4-cyanophenyl)pyrrolidine-3-carboxylic Acid Hydrochloride, (3S,4R)-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid hydrochloride
Technical Specifications
| Molecular Formula | C12H13ClN2O2 |
| Molecular Weight | 252.06656 g/mol |
| XLogP | 1.36768 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.06656 Da |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CC=C(C=C2)C#N.Cl |
| InChIKey | ASTRZKUPOGLBSP-VZXYPILPSA-N |
Chemical Property Profile of (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl
Property Insights of (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl
The XLogP value of 1.36768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl. Following Lipinski's Rule of Five, (+/-)-trans-4-(4-Cyano-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-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The CAS number of (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl is 1049735-02-5.
What is the molecular formula of (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The molecular formula of (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl is C12H13ClN2O2.
What is the molecular weight of (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The molecular weight of (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl is 252.06656 g/mol.
Where can I buy (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
You can request a quote for (+/-)-trans-4-(4-Cyano-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-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
Yes, CoreyChem provides custom synthesis services for (+/-)-trans-4-(4-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.