1-甲基-4-硝基-1H-咪唑-5-胺
TL;DR: 1-甲基-4-硝基-1H-咪唑-5-胺 (CAS 4531-54-8) is a chemical compound with molecular formula C4H6N4O2 and molecular weight 142.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基-4-硝基-1H-咪唑-5-胺
3-methyl-5-nitroimidazol-4-amine
Also Known As: 1-METHYL-4-NITRO-1H-IMIDAZOL-5-AMINE, Azathioprine EP Impurity A, 3-methyl-5-nitroimidazol-4-amine, 5-amino-1-methyl-4-nitroimidazole, Azathioprine impurity A
| Molecular Formula | C4H6N4O2 |
|---|---|
| Molecular Weight | 142.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.04907 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 4531-54-8 |
|---|---|
| SMILES | CN1C=NC(=C1N)[N+](=O)[O-] |
| InChIKey | GJVMTMXQJDQJSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲基-4-硝基-1H-咪唑-5-胺 (CAS 4531-54-8), with molecular formula C4H6N4O2 and molecular weight 142.05 g/mol. IUPAC: 3-methyl-5-nitroimidazol-4-amine.
Chemical Property Profile of 1-甲基-4-硝基-1H-咪唑-5-胺
Property Insights of 1-甲基-4-硝基-1H-咪唑-5-胺
The XLogP value of -0.5 indicates that 1-甲基-4-硝基-1H-咪唑-5-胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-甲基-4-硝基-1H-咪唑-5-胺. Following Lipinski's Rule of Five, 1-甲基-4-硝基-1H-咪唑-5-胺 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 1-甲基-4-硝基-1H-咪唑-5-胺?
The CAS number of 1-甲基-4-硝基-1H-咪唑-5-胺 is 4531-54-8.
What is the molecular formula of 1-甲基-4-硝基-1H-咪唑-5-胺?
The molecular formula of 1-甲基-4-硝基-1H-咪唑-5-胺 is C4H6N4O2.
What is the molecular weight of 1-甲基-4-硝基-1H-咪唑-5-胺?
The molecular weight of 1-甲基-4-硝基-1H-咪唑-5-胺 is 142.05 g/mol.
Where can I buy 1-甲基-4-硝基-1H-咪唑-5-胺?
You can request a quote for 1-甲基-4-硝基-1H-咪唑-5-胺 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-4-硝基-1H-咪唑-5-胺?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基-4-硝基-1H-咪唑-5-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.