5-(S-Glutathionyl)-2-tert-butylhydroquinone
TL;DR: 5-(S-Glutathionyl)-2-tert-butylhydroquinone (CAS 16162-97-3) is a chemical compound with molecular formula C20H29N3O8S and molecular weight 471.17 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-tert-butyl-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: 5GS-Tbhq conjugate, 5-(S-Glutathionyl)-2-tert-butylhydroquinone, (2S)-2-amino-5-[[(2R)-3-(4-tert-butyl-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, L-gammaGlu-S-(2,5-Dihydroxy-4-tert-butylphenyl)-L-Cys-Gly-OH, N-(5-(4-(1,1-Dimethylethyl)-2,5-dihydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine
| Molecular Formula | C20H29N3O8S |
|---|---|
| Molecular Weight | 471.17 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 471.16754 |
| Heavy Atoms | 32 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 16162-97-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O |
| InChIKey | ZOFLHFUJRPXAAO-RYUDHWBXSA-N |
Product Overview
5-(S-Glutathionyl)-2-tert-butylhydroquinone (CAS 16162-97-3), with molecular formula C20H29N3O8S and molecular weight 471.17 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-3-(4-tert-butyl-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of 5-(S-Glutathionyl)-2-tert-butylhydroquinone
Property Insights of 5-(S-Glutathionyl)-2-tert-butylhydroquinone
The XLogP value of -1.6 indicates that 5-(S-Glutathionyl)-2-tert-butylhydroquinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting 5-(S-Glutathionyl)-2-tert-butylhydroquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(S-Glutathionyl)-2-tert-butylhydroquinone has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(S-Glutathionyl)-2-tert-butylhydroquinone?
The CAS number of 5-(S-Glutathionyl)-2-tert-butylhydroquinone is 16162-97-3.
What is the molecular formula of 5-(S-Glutathionyl)-2-tert-butylhydroquinone?
The molecular formula of 5-(S-Glutathionyl)-2-tert-butylhydroquinone is C20H29N3O8S.
What is the molecular weight of 5-(S-Glutathionyl)-2-tert-butylhydroquinone?
The molecular weight of 5-(S-Glutathionyl)-2-tert-butylhydroquinone is 471.17 g/mol.
Where can I buy 5-(S-Glutathionyl)-2-tert-butylhydroquinone?
You can request a quote for 5-(S-Glutathionyl)-2-tert-butylhydroquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(S-Glutathionyl)-2-tert-butylhydroquinone?
Yes, KEHONG BIO provides custom synthesis services for 5-(S-Glutathionyl)-2-tert-butylhydroquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.