1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole
TL;DR: 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole (CAS 13551-86-5) is a chemical compound with molecular formula C6H8ClN3O3 and molecular weight 205.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(2-nitroimidazol-1-yl)propan-2-ol
Also Known As: Ornidazole Impurity 44, Ornidazole Impurity 62, 1-chloro-3-(2-nitroimidazol-1-yl)propan-2-ol, alpha-(Chloromethyl)-2-nitroimidazole-1-ethanol, Ro-07-0269
| Molecular Formula | C6H8ClN3O3 |
|---|---|
| Molecular Weight | 205.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.02542 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 13551-86-5 |
|---|---|
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CC(CCl)O |
| InChIKey | AANLIOPOVSJZLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole (CAS 13551-86-5), with molecular formula C6H8ClN3O3 and molecular weight 205.03 g/mol. IUPAC: 1-chloro-3-(2-nitroimidazol-1-yl)propan-2-ol.
Chemical Property Profile of 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole
Property Insights of 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole
The XLogP value of -0.3 indicates that 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole. Following Lipinski's Rule of Five, 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole has 1 hydrogen bond donor(s) and 4 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 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole?
The CAS number of 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole is 13551-86-5.
What is the molecular formula of 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole?
The molecular formula of 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole is C6H8ClN3O3.
What is the molecular weight of 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole?
The molecular weight of 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole is 205.03 g/mol.
Where can I buy 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole?
You can request a quote for 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.