S-(4-Bromobenzyl)glutathione
TL;DR: S-(4-Bromobenzyl)glutathione (CAS 31702-37-1) is a chemical compound with molecular formula C17H22BrN3O6S and molecular weight 475.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: S- glutathione, S-P-Bromobenzylglutathione, S-p-bromobenzyl glutatione, S-(p-Bromobenzyl)glutathione, ILG-PBB-GLY
| Molecular Formula | C17H22BrN3O6S |
|---|---|
| Molecular Weight | 475.04 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 475.04126 |
| Heavy Atoms | 28 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 31702-37-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)Br |
| InChIKey | HMNYAPVDRLKBJH-STQMWFEESA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(4-Bromobenzyl)glutathione (CAS 31702-37-1), with molecular formula C17H22BrN3O6S and molecular weight 475.04 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of S-(4-Bromobenzyl)glutathione
Property Insights of S-(4-Bromobenzyl)glutathione
The XLogP value of -2.0 indicates that S-(4-Bromobenzyl)glutathione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting S-(4-Bromobenzyl)glutathione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(4-Bromobenzyl)glutathione has 5 hydrogen bond donor(s) and 8 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-(4-Bromobenzyl)glutathione?
The CAS number of S-(4-Bromobenzyl)glutathione is 31702-37-1.
What is the molecular formula of S-(4-Bromobenzyl)glutathione?
The molecular formula of S-(4-Bromobenzyl)glutathione is C17H22BrN3O6S.
What is the molecular weight of S-(4-Bromobenzyl)glutathione?
The molecular weight of S-(4-Bromobenzyl)glutathione is 475.04 g/mol.
Where can I buy S-(4-Bromobenzyl)glutathione?
You can request a quote for S-(4-Bromobenzyl)glutathione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Bromobenzyl)glutathione?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Bromobenzyl)glutathione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.