2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol
TL;DR: 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol (CAS 111119-29-0) is a chemical compound with molecular formula C7H10ClN3O4 and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-4-nitroimidazol-1-yl)-3-methoxypropan-2-ol
Also Known As: HMCN, 1-(2-Hydroxy-3-methyoxypropyl)-2-chloro-4-nitroimidazole, P-40, 1-(2-Hydroxy-3-methoxypropyl)-2-chloro-4-nitro-1H-imidazole, 1-(2-chloro-4-nitroimidazol-1-yl)-3-methoxypropan-2-ol
| Molecular Formula | C7H10ClN3O4 |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.03598 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 111119-29-0 |
|---|---|
| SMILES | COCC(CN1C=C(N=C1Cl)[N+](=O)[O-])O |
| InChIKey | VXFYUTQHAIJKMR-UHFFFAOYSA-N |
Product Overview
2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol (CAS 111119-29-0), with molecular formula C7H10ClN3O4 and molecular weight 235.04 g/mol. IUPAC: 1-(2-chloro-4-nitroimidazol-1-yl)-3-methoxypropan-2-ol.
Chemical Property Profile of 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol
Property Insights of 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol. Following Lipinski's Rule of Five, 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol has 1 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 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol?
The CAS number of 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol is 111119-29-0.
What is the molecular formula of 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol?
The molecular formula of 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol is C7H10ClN3O4.
What is the molecular weight of 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol?
The molecular weight of 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol is 235.04 g/mol.
Where can I buy 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol?
You can request a quote for 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.