3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide
TL;DR: 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide (CAS 7770-13-0) is a chemical compound with molecular formula C8H12N4O3 and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide
Also Known As: 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide, 1-Methyl-4-nitro-N-(propan-2-yl)-1H-imidazole-5-carboxamide
| Molecular Formula | C8H12N4O3 |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.09094 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 7770-13-0 |
|---|---|
| SMILES | CC(C)NC(=O)C1=C(N=CN1C)[N+](=O)[O-] |
| InChIKey | USHZAQTWSQLZKQ-UHFFFAOYSA-N |
Product Overview
3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide (CAS 7770-13-0), with molecular formula C8H12N4O3 and molecular weight 212.09 g/mol. IUPAC: 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide.
Chemical Property Profile of 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide
Property Insights of 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide. Following Lipinski's Rule of Five, 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide 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 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide?
The CAS number of 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide is 7770-13-0.
What is the molecular formula of 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide?
The molecular formula of 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide is C8H12N4O3.
What is the molecular weight of 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide?
The molecular weight of 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide is 212.09 g/mol.
Where can I buy 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide?
You can request a quote for 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-5-nitro-N-propan-2-ylimidazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.