2-Methyl-3-glutathionyl-1,4-naphthoquinone
TL;DR: 2-Methyl-3-glutathionyl-1,4-naphthoquinone (CAS 88467-65-6) is a chemical compound with molecular formula C21H25N3O8S and molecular weight 479.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1,4-dihydroxy-3-methylnaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: M-Gssg-NQ, 2-Methyl-3-glutathionyl-1,4-naphthoquinone, Glycine, N-(S-(1,4-dihydroxy-3-methyl-2-naphthalenyl)-N-L-gamma-glutamyl-L-cysteinyl)-, (4S)-4-Amino-5-({(2R)-1-[(carboxymethyl)imino]-3-[(1,4-dihydroxy-3-methylnaphthalen-2-yl)sulfanyl]-1-hydroxypropan-2-yl}imino)-5-hydroxypentanoic acid, (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1,4-dihydroxy-3-methylnaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
| Molecular Formula | C21H25N3O8S |
|---|---|
| Molecular Weight | 479.14 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 479.13623 |
| Heavy Atoms | 33 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 88467-65-6 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C(=C1SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)O)O |
| InChIKey | CWPZEKLLKJXUHQ-KBPBESRZSA-N |
Product Overview
2-Methyl-3-glutathionyl-1,4-naphthoquinone (CAS 88467-65-6), with molecular formula C21H25N3O8S and molecular weight 479.14 g/mol. IUPAC: (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1,4-dihydroxy-3-methylnaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of 2-Methyl-3-glutathionyl-1,4-naphthoquinone
Property Insights of 2-Methyl-3-glutathionyl-1,4-naphthoquinone
The XLogP value of -1.7 indicates that 2-Methyl-3-glutathionyl-1,4-naphthoquinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting 2-Methyl-3-glutathionyl-1,4-naphthoquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methyl-3-glutathionyl-1,4-naphthoquinone 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 2-Methyl-3-glutathionyl-1,4-naphthoquinone?
The CAS number of 2-Methyl-3-glutathionyl-1,4-naphthoquinone is 88467-65-6.
What is the molecular formula of 2-Methyl-3-glutathionyl-1,4-naphthoquinone?
The molecular formula of 2-Methyl-3-glutathionyl-1,4-naphthoquinone is C21H25N3O8S.
What is the molecular weight of 2-Methyl-3-glutathionyl-1,4-naphthoquinone?
The molecular weight of 2-Methyl-3-glutathionyl-1,4-naphthoquinone is 479.14 g/mol.
Where can I buy 2-Methyl-3-glutathionyl-1,4-naphthoquinone?
You can request a quote for 2-Methyl-3-glutathionyl-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-glutathionyl-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-glutathionyl-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.