2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone
TL;DR: 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone (CAS 1574-87-4) is a chemical compound with molecular formula C16H17Cl2N3O8S and molecular weight 481.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Irgb protein, 2,5-Dgbq, 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone, SID:134224125, (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
| Molecular Formula | C16H17Cl2N3O8S |
|---|---|
| Molecular Weight | 481.01 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 481.01135 |
| Heavy Atoms | 30 |
| Complexity | 842.0 |
Chemical Identifiers
| CAS Number | 1574-87-4 |
|---|---|
| SMILES | C1=C(C(=O)C(=C(C1=O)Cl)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)Cl |
| InChIKey | SIMWAUGDLUXWDC-YUMQZZPRSA-N |
Product Overview
2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone (CAS 1574-87-4), with molecular formula C16H17Cl2N3O8S and molecular weight 481.01 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone
Property Insights of 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone
The XLogP value of -2.6 indicates that 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone has 5 hydrogen bond donor(s) and 10 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 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone?
The CAS number of 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone is 1574-87-4.
What is the molecular formula of 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone?
The molecular formula of 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone is C16H17Cl2N3O8S.
What is the molecular weight of 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone?
The molecular weight of 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone is 481.01 g/mol.
Where can I buy 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone?
You can request a quote for 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichloro-3-(glutathionyl-S-yl)-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.