2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol
TL;DR: 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol (CAS 120398-89-2) is a chemical compound with molecular formula C7H11N3O5 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol
Also Known As: 2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol, 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol, 2-[(2-Nitro-1H-imidazol-1-yl)methoxy]-1,3-propanediol, 1,3-Propanediol, 2-((2-nitro-1H-imidazol-1-yl)methoxy)-, 1,3-Propanediol,2-[(2-nitro-1H-imidazol-1-yl)methoxy]-
| Molecular Formula | C7H11N3O5 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.06987 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 120398-89-2 |
|---|---|
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])COC(CO)CO |
| InChIKey | DWSFCAKOSWFTCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol (CAS 120398-89-2), with molecular formula C7H11N3O5 and molecular weight 217.07 g/mol. IUPAC: 2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol.
Chemical Property Profile of 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol
Property Insights of 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol
The XLogP value of -1.2 indicates that 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol. Following Lipinski's Rule of Five, 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol has 2 hydrogen bond donor(s) and 6 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 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol?
The CAS number of 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol is 120398-89-2.
What is the molecular formula of 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol?
The molecular formula of 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol is C7H11N3O5.
What is the molecular weight of 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol?
The molecular weight of 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol is 217.07 g/mol.
Where can I buy 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol?
You can request a quote for 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Nitro-1H-imidazol-1-yl)methoxy)-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.