1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol
TL;DR: 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol (CAS 21787-91-7) is a chemical compound with molecular formula C8H10F3N3O4 and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitroimidazol-1-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
Also Known As: TF-MISO, 1,6-Diisocyanatohexane, 2-Nitro-alpha-[(2,2,2-trifluoroethoxy)methyl]-imidazole-1-ethanol, Ro 07-2044, Ro 7-2044
| Molecular Formula | C8H10F3N3O4 |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.06235 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 21787-91-7 |
|---|---|
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CC(COCC(F)(F)F)O |
| InChIKey | MJAYBDARRXBLER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol (CAS 21787-91-7), with molecular formula C8H10F3N3O4 and molecular weight 269.06 g/mol. IUPAC: 1-(2-nitroimidazol-1-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
Chemical Property Profile of 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol
Property Insights of 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol. Following Lipinski's Rule of Five, 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol has 1 hydrogen bond donor(s) and 8 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-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol?
The CAS number of 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol is 21787-91-7.
What is the molecular formula of 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol?
The molecular formula of 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol is C8H10F3N3O4.
What is the molecular weight of 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol?
The molecular weight of 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol is 269.06 g/mol.
Where can I buy 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol?
You can request a quote for 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.