Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid
TL;DR: Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid (CAS 1217702-50-5) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(4-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Also Known As: Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid, BOC-(+/-)-TRANS-4-(4-CYANO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID, BOC-(TRANS)-4-(4-CYANO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID, (3S,4R)-4-(4-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid, (3R,4S)-1-(tert-Butoxycarbonyl)-4-(4-cyanophenyl)pyrrolidine-3-carboxylicacid
Technical Specifications
| Molecular Formula | C17H20N2O4 |
| Molecular Weight | 316.1423 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.1423 Da |
| Heavy Atoms | 23 |
| Complexity | 508.0 |
| SMILES | CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC=C(C=C2)C#N |
| InChIKey | FXCGBFMJOLRFEI-UONOGXRCSA-N |
Chemical Property Profile of Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid
Property Insights of Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid?
The CAS number of Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid is 1217702-50-5.
What is the molecular formula of Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid?
The molecular formula of Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid is C17H20N2O4.
What is the molecular weight of Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid?
The molecular weight of Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid is 316.1423 g/mol.
Where can I buy Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid?
You can request a quote for Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for Trans-1-Boc-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.