2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide
TL;DR: 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide (CAS 304877-19-8) is a chemical compound with molecular formula C9H10N4O7 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-7,7-dinitro-1-oxido-3-oxo-5,6-dihydrobenzimidazol-3-ium-4-one
Also Known As: 2,2-dimethyl-7,7-dinitro-1-oxido-3-oxo-5,6-dihydrobenzoimidazol-4-one, 2,2-dimethyl-4,4-dinitro-7-oxo-4,5,6,7-tetrahydro-2H-benzo[d]imidazole 1,3-dioxide, 2,2-dimethyl-7,7-dinitro-1-oxido-3-oxo-5,6-dihydrobenzimidazol-3-ium-4-one, 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide
| Molecular Formula | C9H10N4O7 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 0.139 |
| Topological Polar Surface Area | 149.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.05496 |
| Heavy Atoms | 20 |
| Complexity | 579.10345 |
Chemical Identifiers
| CAS Number | 304877-19-8 |
|---|---|
| SMILES | CC1(N(C2=C([N+]1=O)C(=O)CCC2([N+](=O)[O-])[N+](=O)[O-])[O-])C |
Product Overview
2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide (CAS 304877-19-8), with molecular formula C9H10N4O7 and molecular weight 286.05 g/mol. IUPAC: 2,2-dimethyl-7,7-dinitro-1-oxido-3-oxo-5,6-dihydrobenzimidazol-3-ium-4-one.
Chemical Property Profile of 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide
Property Insights of 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide
The XLogP value of 0.139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide. The TPSA of 149.73 Ų indicates high polarity, suggesting 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide 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 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide?
The CAS number of 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide is 304877-19-8.
What is the molecular formula of 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide?
The molecular formula of 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide is C9H10N4O7.
What is the molecular weight of 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide?
The molecular weight of 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide is 286.05 g/mol.
Where can I buy 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide?
You can request a quote for 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-7,7-dinitro-2,5,6,7-tetrahydro-4H-benzimidazol-4-one 1,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.