Thiodione
TL;DR: Thiodione (CAS 29446-72-8) is a chemical compound with molecular formula C21H23N3O8S and molecular weight 477.12 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-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Thiodione, 2-Methyl-3-(glutathione-S-yl)-1,4-naphthoquinone, Glycine, N-(S-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-N-L-gamma-glutamyl-L-cysteinyl)-, L-alpha-Glutamyl-S-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-L-cysteinylglycine, (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
| Molecular Formula | C21H23N3O8S |
|---|---|
| Molecular Weight | 477.12 g/mol |
| LogP | -0.0495 |
| Topological Polar Surface Area | 192.96 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 477.12057 |
| Heavy Atoms | 33 |
| Complexity | 1036.0911 |
Chemical Identifiers
| CAS Number | 29446-72-8 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N |
Product Overview
Thiodione (CAS 29446-72-8), with molecular formula C21H23N3O8S and molecular weight 477.12 g/mol. IUPAC: (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Thiodione
Property Insights of Thiodione
The XLogP value of -0.0495 indicates that Thiodione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.96 Ų indicates high polarity, suggesting Thiodione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiodione has 5 hydrogen bond donor(s) and 8 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 Thiodione?
The CAS number of Thiodione is 29446-72-8.
What is the molecular formula of Thiodione?
The molecular formula of Thiodione is C21H23N3O8S.
What is the molecular weight of Thiodione?
The molecular weight of Thiodione is 477.12 g/mol.
Where can I buy Thiodione?
You can request a quote for Thiodione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiodione?
Yes, KEHONG BIO provides custom synthesis services for Thiodione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.