(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid (CAS 959573-33-2) is a chemical compound with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-4-[(2-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid, Boc-Pro{4-Bzl(2-CN)}-OH, Boc-(R)-, A-(2-cyano-benzyl)-L-proline, Boc-(R)--(2-cyano-benzyl)-L-proline
| Molecular Formula | C18H22N2O4 |
|---|---|
| Molecular Weight | 330.16 g/mol |
| LogP | 2.81098 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.15796 |
| Heavy Atoms | 24 |
| Complexity | 672.3317 |
Chemical Identifiers
| CAS Number | 959573-33-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)CC2=CC=CC=C2C#N |
Product Overview
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid (CAS 959573-33-2), with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol. IUPAC: (2S,4R)-4-[(2-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid
The XLogP value of 2.81098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid is 959573-33-2.
What is the molecular formula of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid is C18H22N2O4.
What is the molecular weight of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid is 330.16 g/mol.
Where can I buy (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.