1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro-
TL;DR: 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro- (CAS 16781-80-9) is a chemical compound with molecular formula C7H9ClIN3O3 and molecular weight 344.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(5-iodo-2-methyl-4-nitroimidazol-1-yl)propan-2-ol
Also Known As: 5-23-05-00088 (Beilstein Handbook Reference), 1-(3-Chloro-2-hydroxypropyl)-5-iodo-2-methyl-4-nitroimidazole, 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro-, 1-chloro-3-(5-iodo-2-methyl-4-nitroimidazol-1-yl)propan-2-ol, 1-chloro-3-(5-iodo-2-methyl-4-nitro-1H-imidazol-1-yl)propan-2-ol
| Molecular Formula | C7H9ClIN3O3 |
|---|---|
| Molecular Weight | 344.94 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.9377 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 16781-80-9 |
|---|---|
| SMILES | CC1=NC(=C(N1CC(CCl)O)I)[N+](=O)[O-] |
| InChIKey | VAGCYSKTWCDULE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro- (CAS 16781-80-9), with molecular formula C7H9ClIN3O3 and molecular weight 344.94 g/mol. IUPAC: 1-chloro-3-(5-iodo-2-methyl-4-nitroimidazol-1-yl)propan-2-ol.
Chemical Property Profile of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro-
Property Insights of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro-. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro-. Following Lipinski's Rule of Five, 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro- 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 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro-?
The CAS number of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro- is 16781-80-9.
What is the molecular formula of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro-?
The molecular formula of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro- is C7H9ClIN3O3.
What is the molecular weight of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro-?
The molecular weight of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro- is 344.94 g/mol.
Where can I buy 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro-?
You can request a quote for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-4-iodo-2-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.