1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate)
TL;DR: 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate) (CAS 13357-10-3) is a chemical compound with molecular formula C13H12N4O6 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-nitrobenzoate
Also Known As: BAS 00666227, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-nitrobenzoate, 2-{5-nitro-2-methyl-1H-imidazol-1-yl}ethyl 4-nitrobenzoate, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-nitrobenzoate, 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate)
| Molecular Formula | C13H12N4O6 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 1.86492 |
| Topological Polar Surface Area | 130.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.07568 |
| Heavy Atoms | 23 |
| Complexity | 752.32526 |
Chemical Identifiers
| CAS Number | 13357-10-3 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate) (CAS 13357-10-3), with molecular formula C13H12N4O6 and molecular weight 320.08 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-nitrobenzoate.
Chemical Property Profile of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate)
Property Insights of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate)
The XLogP value of 1.86492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate). The TPSA of 130.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate). Following Lipinski's Rule of Five, 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate) has 0 hydrogen bond donor(s) and 7 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, 2-methyl-5-nitro-, 1-(4-nitrobenzoate)?
The CAS number of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate) is 13357-10-3.
What is the molecular formula of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate)?
The molecular formula of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate) is C13H12N4O6.
What is the molecular weight of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate)?
The molecular weight of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate) is 320.08 g/mol.
Where can I buy 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate)?
You can request a quote for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate) 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, 2-methyl-5-nitro-, 1-(4-nitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-nitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.