2,4,6-Trinitrophenylglutathione
TL;DR: 2,4,6-Trinitrophenylglutathione (CAS 86386-47-2) is a chemical compound with molecular formula C26H33N9O18S2 and molecular weight 823.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-[N-(carboxymethyl)-2,4,6-trinitroanilino]-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Tnp-glutathione, Tnp-gsh, 2,4,6-Trinitrophenylglutathione, N-(4-Amino-4-carboxy-1-hydroxybutylidene)-3-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-3-[(carboxymethyl)imino]-3-hydroxypropyl}disulfanyl)alanyl-N-(2,4,6-trinitrophenyl)glycine, N-[(4S)-4-Amino-4-carboxy-1-hydroxybutylidene]-3-({(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-3-[(carboxymethyl)imino]-3-hydroxypropyl}disulfanyl)-L-alanyl-N-(2,4,6-trinitrophenyl)glycine
| Molecular Formula | C26H33N9O18S2 |
|---|---|
| Molecular Weight | 823.14 g/mol |
| LogP | -7.9 |
| Topological Polar Surface Area | 497.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Exact Mass | 823.1385 |
| Heavy Atoms | 55 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 86386-47-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N(CC(=O)O)C(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FFQZVOHBBONILO-AJNGGQMLSA-N |
Product Overview
2,4,6-Trinitrophenylglutathione (CAS 86386-47-2), with molecular formula C26H33N9O18S2 and molecular weight 823.14 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-[N-(carboxymethyl)-2,4,6-trinitroanilino]-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of 2,4,6-Trinitrophenylglutathione
Property Insights of 2,4,6-Trinitrophenylglutathione
The XLogP value of -7.9 indicates that 2,4,6-Trinitrophenylglutathione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 497.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenylglutathione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenylglutathione has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Trinitrophenylglutathione?
The CAS number of 2,4,6-Trinitrophenylglutathione is 86386-47-2.
What is the molecular formula of 2,4,6-Trinitrophenylglutathione?
The molecular formula of 2,4,6-Trinitrophenylglutathione is C26H33N9O18S2.
What is the molecular weight of 2,4,6-Trinitrophenylglutathione?
The molecular weight of 2,4,6-Trinitrophenylglutathione is 823.14 g/mol.
Where can I buy 2,4,6-Trinitrophenylglutathione?
You can request a quote for 2,4,6-Trinitrophenylglutathione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrophenylglutathione?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenylglutathione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.