S-(3-nitrocarbobenzoxy)glutathione
TL;DR: S-(3-nitrocarbobenzoxy)glutathione (CAS 95998-74-6) is a chemical compound with molecular formula C18H22N4O10S and molecular weight 486.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(3-nitrophenyl)methoxycarbonylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: 3-Ncbg, S-(3-Nitrocarbobenzoxy)glutathione, Glycine, N-(N-L-gamma-glutamyl-S-(((3-nitrophenyl)methoxy)carbonyl)-L-cysteinyl)-, (2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(3-nitrophenyl)methoxycarbonylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, 5-({1-[(Carboxymethyl)imino]-1-hydroxy-3-({[(3-nitrophenyl)methoxy]carbonyl}sulfanyl)propan-2-yl}imino)-5-hydroxynorvaline
| Molecular Formula | C18H22N4O10S |
|---|---|
| Molecular Weight | 486.11 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 486.10565 |
| Heavy Atoms | 33 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 95998-74-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N |
| InChIKey | OLLNYAGAESAEGA-OLZOCXBDSA-N |
Product Overview
S-(3-nitrocarbobenzoxy)glutathione (CAS 95998-74-6), with molecular formula C18H22N4O10S and molecular weight 486.11 g/mol. IUPAC: (2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(3-nitrophenyl)methoxycarbonylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of S-(3-nitrocarbobenzoxy)glutathione
Property Insights of S-(3-nitrocarbobenzoxy)glutathione
The XLogP value of -2.6 indicates that S-(3-nitrocarbobenzoxy)glutathione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 256.0 Ų indicates high polarity, suggesting S-(3-nitrocarbobenzoxy)glutathione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(3-nitrocarbobenzoxy)glutathione has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(3-nitrocarbobenzoxy)glutathione?
The CAS number of S-(3-nitrocarbobenzoxy)glutathione is 95998-74-6.
What is the molecular formula of S-(3-nitrocarbobenzoxy)glutathione?
The molecular formula of S-(3-nitrocarbobenzoxy)glutathione is C18H22N4O10S.
What is the molecular weight of S-(3-nitrocarbobenzoxy)glutathione?
The molecular weight of S-(3-nitrocarbobenzoxy)glutathione is 486.11 g/mol.
Where can I buy S-(3-nitrocarbobenzoxy)glutathione?
You can request a quote for S-(3-nitrocarbobenzoxy)glutathione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3-nitrocarbobenzoxy)glutathione?
Yes, KEHONG BIO provides custom synthesis services for S-(3-nitrocarbobenzoxy)glutathione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.