4-(4,5-Dinitroimidazol-1-yl)butan-2-one
TL;DR: 4-(4,5-Dinitroimidazol-1-yl)butan-2-one (CAS 330965-06-5) is a chemical compound with molecular formula C7H8N4O5 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dinitroimidazol-1-yl)butan-2-one
Also Known As: 4-(4,5-dinitroimidazol-1-yl)butan-2-one, BAS 00291767, 4-(4,5-dinitroimidazolyl)butan-2-one, 4-(4,5-Dinitro-imidazol-1-yl)-butan-2-one, 4-(4,5-Dinitro-1H-imidazol-1-yl)butan-2-one
| Molecular Formula | C7H8N4O5 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 0.6786 |
| Topological Polar Surface Area | 121.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.04947 |
| Heavy Atoms | 16 |
| Complexity | 451.6297 |
Chemical Identifiers
| CAS Number | 330965-06-5 |
|---|---|
| SMILES | CC(=O)CCN1C=NC(=C1[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-(4,5-Dinitroimidazol-1-yl)butan-2-one (CAS 330965-06-5), with molecular formula C7H8N4O5 and molecular weight 228.05 g/mol. IUPAC: 4-(4,5-dinitroimidazol-1-yl)butan-2-one.
Chemical Property Profile of 4-(4,5-Dinitroimidazol-1-yl)butan-2-one
Property Insights of 4-(4,5-Dinitroimidazol-1-yl)butan-2-one
The XLogP value of 0.6786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4,5-Dinitroimidazol-1-yl)butan-2-one. The TPSA of 121.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4,5-Dinitroimidazol-1-yl)butan-2-one. Following Lipinski's Rule of Five, 4-(4,5-Dinitroimidazol-1-yl)butan-2-one has 0 hydrogen bond donor(s) and 6 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 4-(4,5-Dinitroimidazol-1-yl)butan-2-one?
The CAS number of 4-(4,5-Dinitroimidazol-1-yl)butan-2-one is 330965-06-5.
What is the molecular formula of 4-(4,5-Dinitroimidazol-1-yl)butan-2-one?
The molecular formula of 4-(4,5-Dinitroimidazol-1-yl)butan-2-one is C7H8N4O5.
What is the molecular weight of 4-(4,5-Dinitroimidazol-1-yl)butan-2-one?
The molecular weight of 4-(4,5-Dinitroimidazol-1-yl)butan-2-one is 228.05 g/mol.
Where can I buy 4-(4,5-Dinitroimidazol-1-yl)butan-2-one?
You can request a quote for 4-(4,5-Dinitroimidazol-1-yl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,5-Dinitroimidazol-1-yl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,5-Dinitroimidazol-1-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.