(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid (CAS 959577-92-5) is a chemical compound with molecular formula C17H22N2O6 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
Also Known As: (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid, Boc-(R)-gamma-(2-nitro-benzyl)-L-proline, Boc-Pro{4-Bzl(2-NO2)}-OH, 6642AC, (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
| Molecular Formula | C17H22N2O6 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 2.8475 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.1478 |
| Heavy Atoms | 25 |
| Complexity | 681.9608 |
Chemical Identifiers
| CAS Number | 959577-92-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)CC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid (CAS 959577-92-5), with molecular formula C17H22N2O6 and molecular weight 350.15 g/mol. IUPAC: (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid
The XLogP value of 2.8475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-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
Frequently Asked Questions
What is the CAS number of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid is 959577-92-5.
What is the molecular formula of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid is C17H22N2O6.
What is the molecular weight of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid is 350.15 g/mol.
Where can I buy (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)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-nitrobenzyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.