Desmethylmisonidazole
TL;DR: Desmethylmisonidazole (CAS 13551-92-3) is a chemical compound with molecular formula C6H9N3O4 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitroimidazol-1-yl)propane-1,2-diol
Also Known As: Desmethylmisonidazole, Demethylmisonidazole, 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diol, Ro 5-9963, N-(4-methylbenzyl)urea
| Molecular Formula | C6H9N3O4 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.05931 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 13551-92-3 |
|---|---|
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CC(CO)O |
| InChIKey | NUGLIYXAARVRPQ-UHFFFAOYSA-N |
Product Overview
Desmethylmisonidazole (CAS 13551-92-3), with molecular formula C6H9N3O4 and molecular weight 187.06 g/mol. IUPAC: 3-(2-nitroimidazol-1-yl)propane-1,2-diol.
Chemical Property Profile of Desmethylmisonidazole
Property Insights of Desmethylmisonidazole
The XLogP value of -1.0 indicates that Desmethylmisonidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethylmisonidazole. Following Lipinski's Rule of Five, Desmethylmisonidazole has 2 hydrogen bond donor(s) and 5 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 Desmethylmisonidazole?
The CAS number of Desmethylmisonidazole is 13551-92-3.
What is the molecular formula of Desmethylmisonidazole?
The molecular formula of Desmethylmisonidazole is C6H9N3O4.
What is the molecular weight of Desmethylmisonidazole?
The molecular weight of Desmethylmisonidazole is 187.06 g/mol.
Where can I buy Desmethylmisonidazole?
You can request a quote for Desmethylmisonidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethylmisonidazole?
Yes, KEHONG BIO provides custom synthesis services for Desmethylmisonidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.