(S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid
TL;DR: (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid (CAS 1217855-87-2) 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)-2-[(4-tert-butylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: starbld0017876, Boc-(S)-alpha-(4-tert-butyl-benzyl)-proline, Boc-D-{Bzl(4-tBu)}Pro-OH, (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid, Boc-(S)-
| Molecular Formula | C21H31NO4 |
|---|---|
| Molecular Weight | 361.23 g/mol |
| LogP | 4.3809 |
| 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 | 666.7369 |
Chemical Identifiers
| CAS Number | 1217855-87-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C[C@@]2(CCCN2C(=O)OC(C)(C)C)C(=O)O |
Product Overview
(S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid (CAS 1217855-87-2), with molecular formula C21H31NO4 and molecular weight 361.23 g/mol. IUPAC: (2S)-2-[(4-tert-butylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid
Property Insights of (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid
The XLogP value of 4.3809 indicates that (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic 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 (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid. Following Lipinski's Rule of Five, (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic 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 (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid?
The CAS number of (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid is 1217855-87-2.
What is the molecular formula of (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid?
The molecular formula of (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid is C21H31NO4.
What is the molecular weight of (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid?
The molecular weight of (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid is 361.23 g/mol.
Where can I buy (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid?
You can request a quote for (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-1-Boc-2-(4-tert-butylbenzyl)-2-pyrrolidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.