Misonidazole-glutathione conjugate
TL;DR: Misonidazole-glutathione conjugate (CAS 86356-71-0) is a chemical compound with molecular formula C17H28N6O8S and molecular weight 476.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-[[(2R)-3-[2-amino-1-(2-hydroxy-3-methoxypropyl)imidazol-4-yl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: GS-Mis, Misonidazole-glutathione conjugate, 1-(2-Amino-(4-glutathion-S-yl)-1-imidazolyl)-3-methoxypropanol, 1-(2-Amino-(5-glutathion-S-yl)-1-imidazolyl)-3-methoxypropanol, Glycine, N-(S-(2-amino-1-(2-hydroxy-3-methoxypropyl)-1H-imidazol-4-yl)-N-L-gamma-glutamyl-L-cysteinyl)-
| Molecular Formula | C17H28N6O8S |
|---|---|
| Molecular Weight | 476.17 g/mol |
| LogP | -5.3 |
| Topological Polar Surface Area | 257.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 476.16895 |
| Heavy Atoms | 32 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 86356-71-0 |
|---|---|
| SMILES | COCC(CN1C=C(N=C1N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O |
| InChIKey | YTANSWIJQWDJMX-DVRYWGNFSA-N |
Product Overview
Misonidazole-glutathione conjugate (CAS 86356-71-0), with molecular formula C17H28N6O8S and molecular weight 476.17 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-3-[2-amino-1-(2-hydroxy-3-methoxypropyl)imidazol-4-yl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Misonidazole-glutathione conjugate
Property Insights of Misonidazole-glutathione conjugate
The XLogP value of -5.3 indicates that Misonidazole-glutathione conjugate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 257.0 Ų indicates high polarity, suggesting Misonidazole-glutathione conjugate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Misonidazole-glutathione conjugate has 7 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 Misonidazole-glutathione conjugate?
The CAS number of Misonidazole-glutathione conjugate is 86356-71-0.
What is the molecular formula of Misonidazole-glutathione conjugate?
The molecular formula of Misonidazole-glutathione conjugate is C17H28N6O8S.
What is the molecular weight of Misonidazole-glutathione conjugate?
The molecular weight of Misonidazole-glutathione conjugate is 476.17 g/mol.
Where can I buy Misonidazole-glutathione conjugate?
You can request a quote for Misonidazole-glutathione conjugate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Misonidazole-glutathione conjugate?
Yes, KEHONG BIO provides custom synthesis services for Misonidazole-glutathione conjugate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.