Misonidazole glucuronide
TL;DR: Misonidazole glucuronide (CAS 92953-56-5) is a chemical compound with molecular formula C13H19N3O10 and molecular weight 377.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Misonidazole glucuronide, Misonidazole-beta-glucuronide, beta-D-Glucopyranosiduronic acid, 1-(methoxymethyl)-2-(2-nitro-1H-imidazol-1-yl)ethyl, (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxyoxane-2-carboxylic acid, 1-methoxy-3-(2-nitro-1h-imidazol-1-yl)propan-2-yl
| Molecular Formula | C13H19N3O10 |
|---|---|
| Molecular Weight | 377.11 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.10706 |
| Heavy Atoms | 26 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 92953-56-5 |
|---|---|
| SMILES | COCC(CN1C=CN=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | AGTMQQNYEJNPKI-GEBOREBZSA-N |
Product Overview
Misonidazole glucuronide (CAS 92953-56-5), with molecular formula C13H19N3O10 and molecular weight 377.11 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Misonidazole glucuronide
Property Insights of Misonidazole glucuronide
The XLogP value of -2.0 indicates that Misonidazole glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting Misonidazole glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Misonidazole glucuronide has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Misonidazole glucuronide?
The CAS number of Misonidazole glucuronide is 92953-56-5.
What is the molecular formula of Misonidazole glucuronide?
The molecular formula of Misonidazole glucuronide is C13H19N3O10.
What is the molecular weight of Misonidazole glucuronide?
The molecular weight of Misonidazole glucuronide is 377.11 g/mol.
Where can I buy Misonidazole glucuronide?
You can request a quote for Misonidazole glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Misonidazole glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Misonidazole glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.