1-甲基-2-硝基-1H-咪唑-5-甲醛
TL;DR: 1-甲基-2-硝基-1H-咪唑-5-甲醛 (CAS 39928-74-0) is a chemical compound with molecular formula C5H5N3O3 and molecular weight 155.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基-2-硝基-1H-咪唑-5-甲醛
3-methyl-2-nitroimidazole-4-carbaldehyde
Also Known As: 1-methyl-2-nitro-1H-imidazole-5-carbaldehyde, 3-methyl-2-nitroimidazole-4-carbaldehyde, Imidazole-5-carboxaldehyde, 1-methyl-2-nitro-, 1-Methyl-2-nitro-5-imidazolaldehyde, 1-Methyl-2-nitro-imidazole-5-carboxaldehyde
| Molecular Formula | C5H5N3O3 |
|---|---|
| Molecular Weight | 155.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.0331 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 39928-74-0 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])C=O |
| InChIKey | PTLILCRCEWAQGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲基-2-硝基-1H-咪唑-5-甲醛 (CAS 39928-74-0), with molecular formula C5H5N3O3 and molecular weight 155.03 g/mol. IUPAC: 3-methyl-2-nitroimidazole-4-carbaldehyde.
Chemical Property Profile of 1-甲基-2-硝基-1H-咪唑-5-甲醛
Property Insights of 1-甲基-2-硝基-1H-咪唑-5-甲醛
The XLogP value of -0.1 indicates that 1-甲基-2-硝基-1H-咪唑-5-甲醛 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-甲基-2-硝基-1H-咪唑-5-甲醛. Following Lipinski's Rule of Five, 1-甲基-2-硝基-1H-咪唑-5-甲醛 has 0 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 1-甲基-2-硝基-1H-咪唑-5-甲醛?
The CAS number of 1-甲基-2-硝基-1H-咪唑-5-甲醛 is 39928-74-0.
What is the molecular formula of 1-甲基-2-硝基-1H-咪唑-5-甲醛?
The molecular formula of 1-甲基-2-硝基-1H-咪唑-5-甲醛 is C5H5N3O3.
What is the molecular weight of 1-甲基-2-硝基-1H-咪唑-5-甲醛?
The molecular weight of 1-甲基-2-硝基-1H-咪唑-5-甲醛 is 155.03 g/mol.
Where can I buy 1-甲基-2-硝基-1H-咪唑-5-甲醛?
You can request a quote for 1-甲基-2-硝基-1H-咪唑-5-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基-2-硝基-1H-咪唑-5-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基-2-硝基-1H-咪唑-5-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.