![1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione structure](/static/products/970/97095-16-4.png)
1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
TL;DR: 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CAS 97095-16-4) is a chemical compound with molecular formula C8H8N6O8 and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Also Known As: J1.091.209A, 1,4-diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione, 1,4-diacetyl-3,6-dinitro-octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione, 1,4-diacetyl-3,6-dinitrotetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 3,6-Diacetyl-1,4-dinitro-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5(1H,4H)-dione
| Molecular Formula | C8H8N6O8 |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | -1.4098 |
| Topological Polar Surface Area | 167.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.04037 |
| Heavy Atoms | 22 |
| Complexity | 530.12555 |
Chemical Identifiers
| CAS Number | 97095-16-4 |
|---|---|
| SMILES | CC(=O)N1C2C(N(C(=O)N2[N+](=O)[O-])C(=O)C)N(C1=O)[N+](=O)[O-] |
Product Overview
1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CAS 97095-16-4), with molecular formula C8H8N6O8 and molecular weight 316.04 g/mol. IUPAC: 1,4-diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
Chemical Property Profile of 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Property Insights of 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
The XLogP value of -1.4098 indicates that 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.52 Ų indicates high polarity, suggesting 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has 0 hydrogen bond donor(s) and 8 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 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The CAS number of 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is 97095-16-4.
What is the molecular formula of 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The molecular formula of 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is C8H8N6O8.
What is the molecular weight of 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The molecular weight of 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is 316.04 g/mol.
Where can I buy 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
You can request a quote for 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diacetyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.