(2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid (CAS 959573-23-0) is a chemical compound with molecular formula C21H31NO4 and molecular weight 361.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-4-[(4-tert-butylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid, Boc-Pro{4-Bzl(4-tBu)}-OH, 6598AC, BOC-(R)-GAMMA-(4-TERT-BUTYL-BENZYL)-L-PROLINE, Boc-(R)-gamma-(4-tert-butyl--benzyl)-L-proline
| Molecular Formula | C21H31NO4 |
|---|---|
| Molecular Weight | 361.23 g/mol |
| LogP | 4.2368 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.2253 |
| Heavy Atoms | 26 |
| Complexity | 652.07404 |
Chemical Identifiers
| CAS Number | 959573-23-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C[C@@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)O |
Product Overview
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid (CAS 959573-23-0), with molecular formula C21H31NO4 and molecular weight 361.23 g/mol. IUPAC: (2S,4R)-4-[(4-tert-butylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid
The XLogP value of 4.2368 indicates that (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid has 1 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 (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid is 959573-23-0.
What is the molecular formula of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid is C21H31NO4.
What is the molecular weight of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid is 361.23 g/mol.
Where can I buy (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)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-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)benzyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.