Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate
TL;DR: Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate (CAS 179983-49-4) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 1-methyl-4-nitroimidazole-2-carboxylate
Also Known As: TERT-BUTYL 1-METHYL-4-NITRO-1H-IMIDAZOLE-2-CARBOXYLATE, tert-butyl 1-methyl-4-nitroimidazole-2-carboxylate, Tert-butyl 1-methyl-4-nitro-imidazole-2-carboxylate, tert-butyl 4-nitro-N-methyl-1Himidazole-2-carboxylate, tert-Butyl 4-nitro-N-methyl-1H-imidazole-2-carboxylate
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 1.2836 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 430.45276 |
Chemical Identifiers
| CAS Number | 179983-49-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=NC(=CN1C)[N+](=O)[O-] |
Product Overview
Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate (CAS 179983-49-4), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: tert-butyl 1-methyl-4-nitroimidazole-2-carboxylate.
Chemical Property Profile of Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate
Property Insights of Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate
The XLogP value of 1.2836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate has 0 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 Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate?
The CAS number of Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate is 179983-49-4.
What is the molecular formula of Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate?
The molecular formula of Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate is C9H13N3O4.
What is the molecular weight of Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate?
The molecular weight of Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate is 227.09 g/mol.
Where can I buy Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate?
You can request a quote for Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.