3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol
TL;DR: 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol (CAS 134564-85-5) is a chemical compound with molecular formula C19H26N4O11S and molecular weight 518.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(4S)-4-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-3-hydroxy-3-(hydroxymethyl)-4-(4-nitrophenoxy)-2-(sulfanylmethyl)butanoic acid
Also Known As: 3-Npgp, 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol, (2R)-2-[[(4S)-4-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-3-hydroxy-3-(hydroxymethyl)-4-(4-nitrophenoxy)-2-(sulfanylmethyl)butanoic acid, (2R)-2-[[(4S)-4-[(2-aminoacetyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-3-hydroxy-3-(hydroxymethyl)-4-(4-nitrophenoxy)-2-(sulfanylmethyl)butanoic acid, L-Cysteine, 2-(1,2-dihydroxy-1-((4-nitrophenoxy)methyl)ethyl)-N-(N-glycyl-L-gamma-glutamyl)-
| Molecular Formula | C19H26N4O11S |
|---|---|
| Molecular Weight | 518.13 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 518.1319 |
| Heavy Atoms | 35 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 134564-85-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCC(CO)([C@](CS)(C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CN)O |
| InChIKey | VEVMUSLHHIEHRV-IMWIMMFESA-N |
Product Overview
3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol (CAS 134564-85-5), with molecular formula C19H26N4O11S and molecular weight 518.13 g/mol. IUPAC: (2R)-2-[[(4S)-4-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-3-hydroxy-3-(hydroxymethyl)-4-(4-nitrophenoxy)-2-(sulfanylmethyl)butanoic acid.
Chemical Property Profile of 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol
Property Insights of 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol
The XLogP value of -4.7 indicates that 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 255.0 Ų indicates high polarity, suggesting 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol?
The CAS number of 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol is 134564-85-5.
What is the molecular formula of 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol?
The molecular formula of 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol is C19H26N4O11S.
What is the molecular weight of 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol?
The molecular weight of 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol is 518.13 g/mol.
Where can I buy 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol?
You can request a quote for 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenoxy)-2-(S-glutathionyl)-1-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.