Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
TL;DR: Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione (CAS 91112-63-9) is a chemical compound with molecular formula C4H4N6O4 and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4-dinitroso-1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
Also Known As: Dinitrosoglycolurile, Glycoluril, dinitroso-, Glycoluril,dinitroso, Dinitrosotetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)dione, 3a,4-dinitroso-1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
| Molecular Formula | C4H4N6O4 |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.0294 |
| Heavy Atoms | 14 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 91112-63-9 |
|---|---|
| SMILES | C12C(NC(=O)N1)(N(C(=O)N2)N=O)N=O |
| InChIKey | WIHHVIFNOIVFGH-UHFFFAOYSA-N |
Product Overview
Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione (CAS 91112-63-9), with molecular formula C4H4N6O4 and molecular weight 200.03 g/mol. IUPAC: 3a,4-dinitroso-1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
Chemical Property Profile of Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
Property Insights of Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
The XLogP value of -2.5 indicates that Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione. Following Lipinski's Rule of Five, Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione has 3 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 Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione?
The CAS number of Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione is 91112-63-9.
What is the molecular formula of Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione?
The molecular formula of Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione is C4H4N6O4.
What is the molecular weight of Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione?
The molecular weight of Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione is 200.03 g/mol.
Where can I buy Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione?
You can request a quote for Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.