NCIStruc1_000670
TL;DR: NCIStruc1_000670 (CAS 54485-95-9) is a chemical compound with molecular formula C11H19N5O3 and molecular weight 269.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(1-methyl-5-nitroimidazol-2-yl)methyl]piperazin-1-yl]ethanol
Also Known As: NCIStruc1_000670, NCIStruc2_000909, NCI60_003372, 2-[4-[(1-methyl-5-nitroimidazol-2-yl)methyl]piperazin-1-yl]ethanol, 2-(4-((5-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-2-yl)methyl)-1-piperazinyl)ethanol
| Molecular Formula | C11H19N5O3 |
|---|---|
| Molecular Weight | 269.15 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.1488 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 54485-95-9 |
|---|---|
| SMILES | CN1C(=CN=C1CN2CCN(CC2)CCO)[N+](=O)[O-] |
| InChIKey | HFDSCTCNNRNJIE-UHFFFAOYSA-N |
Product Overview
NCIStruc1_000670 (CAS 54485-95-9), with molecular formula C11H19N5O3 and molecular weight 269.15 g/mol. IUPAC: 2-[4-[(1-methyl-5-nitroimidazol-2-yl)methyl]piperazin-1-yl]ethanol.
Chemical Property Profile of NCIStruc1_000670
Property Insights of NCIStruc1_000670
The XLogP value of -0.5 indicates that NCIStruc1_000670 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIStruc1_000670. Following Lipinski's Rule of Five, NCIStruc1_000670 has 1 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 NCIStruc1_000670?
The CAS number of NCIStruc1_000670 is 54485-95-9.
What is the molecular formula of NCIStruc1_000670?
The molecular formula of NCIStruc1_000670 is C11H19N5O3.
What is the molecular weight of NCIStruc1_000670?
The molecular weight of NCIStruc1_000670 is 269.15 g/mol.
Where can I buy NCIStruc1_000670?
You can request a quote for NCIStruc1_000670 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_000670?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_000670 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.