1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole
TL;DR: 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole (CAS 3130-52-7) is a chemical compound with molecular formula C10H10N6O6 and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2,4-dinitropyrrol-1-yl)ethyl]-2-methyl-5-nitroimidazole
Also Known As: 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole, 5-23-05-00062 (Beilstein Handbook Reference), 1H-Imidazole, 1-(2-(2,4-dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-, Imidazole, 1-(2-(2,4-dinitropyrrol-1-yl)ethyl)-2-methyl-5-nitro-, 1-[2-(2,4-dinitropyrrol-1-yl)ethyl]-2-methyl-5-nitroimidazole
| Molecular Formula | C10H10N6O6 |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0662 |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 3130-52-7 |
|---|---|
| SMILES | CC1=NC=C(N1CCN2C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PTWQQVFGRPABLH-UHFFFAOYSA-N |
Product Overview
1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole (CAS 3130-52-7), with molecular formula C10H10N6O6 and molecular weight 310.07 g/mol. IUPAC: 1-[2-(2,4-dinitropyrrol-1-yl)ethyl]-2-methyl-5-nitroimidazole.
Chemical Property Profile of 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole
Property Insights of 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole. The TPSA of 160.0 Ų indicates high polarity, suggesting 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole 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 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole?
The CAS number of 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole is 3130-52-7.
What is the molecular formula of 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole?
The molecular formula of 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole is C10H10N6O6.
What is the molecular weight of 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole?
The molecular weight of 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole is 310.07 g/mol.
Where can I buy 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole?
You can request a quote for 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(2,4-Dinitro-1H-pyrrol-1-yl)ethyl)-2-methyl-5-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.