![2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile structure](/static/products/6188/61885-23-2.webp)
2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile
TL;DR: 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile (CAS 61885-23-2) is a chemical compound with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile
Also Known As: 2,4-dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile, 2,4-dimethyl-6-nitro-3,5-dioxo-2,4-diaza-bicyclo[4.1.0]heptane-1-carbonitrile, 2,4-dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptan
| Molecular Formula | C8H8N4O4 |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.05455 |
| Heavy Atoms | 16 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 61885-23-2 |
|---|---|
| SMILES | CN1C(=O)C2(CC2(N(C1=O)C)C#N)[N+](=O)[O-] |
| InChIKey | YAIVJIIEVSTRGF-UHFFFAOYSA-N |
Product Overview
2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile (CAS 61885-23-2), with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol. IUPAC: 2,4-dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile.
Chemical Property Profile of 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile
Property Insights of 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile
The XLogP value of -1.1 indicates that 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile. Following Lipinski's Rule of Five, 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile 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 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile?
The CAS number of 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile is 61885-23-2.
What is the molecular formula of 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile?
The molecular formula of 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile is C8H8N4O4.
What is the molecular weight of 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile?
The molecular weight of 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile is 224.05 g/mol.
Where can I buy 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile?
You can request a quote for 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-6-nitro-3,5-dioxo-2,4-diazabicyclo[4.1.0]heptane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.