(+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl
TL;DR: (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl (CAS 1049734-95-3) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
Also Known As: (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl, (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride, (3R,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic Acid Hydrochloride, (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid hydrochloride, 3-Pyrrolidinecarboxylic acid, 4-(3-cyanophenyl)-, hydrochloride (1:1), (3S,4R)-
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.36768 |
| Topological Polar Surface Area | 73.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 456.064 |
Chemical Identifiers
| CAS Number | 1049734-95-3 |
|---|---|
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CC=CC(=C2)C#N.Cl |
Product Overview
(+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl (CAS 1049734-95-3), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride.
Chemical Property Profile of (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl
Property Insights of (+/-)-trans-4-(3-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-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl. The TPSA of 73.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl. Following Lipinski's Rule of Five, (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The CAS number of (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl is 1049734-95-3.
What is the molecular formula of (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The molecular formula of (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl is C12H13ClN2O2.
What is the molecular weight of (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The molecular weight of (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl is 252.07 g/mol.
Where can I buy (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
You can request a quote for (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
Yes, KEHONG BIO provides custom synthesis services for (+/-)-trans-4-(3-Cyano-phenyl)-pyrrolidine-3-carboxylic acid-HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.