Boc-(S)-alpha-(3-bromo-benzyl)-proline
TL;DR: Boc-(S)-alpha-(3-bromo-benzyl)-proline (CAS 1217662-71-9) is a chemical compound with molecular formula C17H22BrNO4 and molecular weight 383.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: BOC-(S)-ALPHA-(3-BROMO-BENZYL)-PROLINE, Boc-(S)-a-(3-bromobenzyl)proline, Boc-D-{Bzl(3-Br)}Pro-OH, Boc-(S)-alpha-(3-bromobenzyl)proline, Boc-(S)-
| Molecular Formula | C17H22BrNO4 |
|---|---|
| Molecular Weight | 383.07 g/mol |
| LogP | 3.8459 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.0732 |
| Heavy Atoms | 23 |
| Complexity | 610.8561 |
Chemical Identifiers
| CAS Number | 1217662-71-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC(=CC=C2)Br)C(=O)O |
Product Overview
Boc-(S)-alpha-(3-bromo-benzyl)-proline (CAS 1217662-71-9), with molecular formula C17H22BrNO4 and molecular weight 383.07 g/mol. IUPAC: (2S)-2-[(3-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of Boc-(S)-alpha-(3-bromo-benzyl)-proline
Property Insights of Boc-(S)-alpha-(3-bromo-benzyl)-proline
The XLogP value of 3.8459 indicates that Boc-(S)-alpha-(3-bromo-benzyl)-proline 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 Boc-(S)-alpha-(3-bromo-benzyl)-proline. Following Lipinski's Rule of Five, Boc-(S)-alpha-(3-bromo-benzyl)-proline 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 Boc-(S)-alpha-(3-bromo-benzyl)-proline?
The CAS number of Boc-(S)-alpha-(3-bromo-benzyl)-proline is 1217662-71-9.
What is the molecular formula of Boc-(S)-alpha-(3-bromo-benzyl)-proline?
The molecular formula of Boc-(S)-alpha-(3-bromo-benzyl)-proline is C17H22BrNO4.
What is the molecular weight of Boc-(S)-alpha-(3-bromo-benzyl)-proline?
The molecular weight of Boc-(S)-alpha-(3-bromo-benzyl)-proline is 383.07 g/mol.
Where can I buy Boc-(S)-alpha-(3-bromo-benzyl)-proline?
You can request a quote for Boc-(S)-alpha-(3-bromo-benzyl)-proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-(S)-alpha-(3-bromo-benzyl)-proline?
Yes, KEHONG BIO provides custom synthesis services for Boc-(S)-alpha-(3-bromo-benzyl)-proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.