4-(2-Nitroimidazol-1-yl)butane-1,2-diol
TL;DR: 4-(2-Nitroimidazol-1-yl)butane-1,2-diol (CAS 80479-63-6) is a chemical compound with molecular formula C7H11N3O4 and molecular weight 201.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-nitroimidazol-1-yl)butane-1,2-diol
Also Known As: 4-(2-nitroimidazol-1-yl)butane-1,2-diol, 4-(2-Nitro-1H-imidazol-1-yl)butane-1,2-diol
| Molecular Formula | C7H11N3O4 |
|---|---|
| Molecular Weight | 201.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.07495 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 80479-63-6 |
|---|---|
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CCC(CO)O |
| InChIKey | AXLKWXCLDLSLIQ-UHFFFAOYSA-N |
Product Overview
4-(2-Nitroimidazol-1-yl)butane-1,2-diol (CAS 80479-63-6), with molecular formula C7H11N3O4 and molecular weight 201.07 g/mol. IUPAC: 4-(2-nitroimidazol-1-yl)butane-1,2-diol.
Chemical Property Profile of 4-(2-Nitroimidazol-1-yl)butane-1,2-diol
Property Insights of 4-(2-Nitroimidazol-1-yl)butane-1,2-diol
The XLogP value of -0.6 indicates that 4-(2-Nitroimidazol-1-yl)butane-1,2-diol 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 4-(2-Nitroimidazol-1-yl)butane-1,2-diol. Following Lipinski's Rule of Five, 4-(2-Nitroimidazol-1-yl)butane-1,2-diol 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 4-(2-Nitroimidazol-1-yl)butane-1,2-diol?
The CAS number of 4-(2-Nitroimidazol-1-yl)butane-1,2-diol is 80479-63-6.
What is the molecular formula of 4-(2-Nitroimidazol-1-yl)butane-1,2-diol?
The molecular formula of 4-(2-Nitroimidazol-1-yl)butane-1,2-diol is C7H11N3O4.
What is the molecular weight of 4-(2-Nitroimidazol-1-yl)butane-1,2-diol?
The molecular weight of 4-(2-Nitroimidazol-1-yl)butane-1,2-diol is 201.07 g/mol.
Where can I buy 4-(2-Nitroimidazol-1-yl)butane-1,2-diol?
You can request a quote for 4-(2-Nitroimidazol-1-yl)butane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Nitroimidazol-1-yl)butane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Nitroimidazol-1-yl)butane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.