2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide
TL;DR: 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide (CAS 163126-81-6) is a chemical compound with molecular formula C9H9N3O4 and molecular weight 223.05931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5-nitro-3-oxidobenzimidazol-1-ium 1-oxide
Also Known As: Sepin-1?, 2,2-Dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide, EX-A9423, SDCCGMLS-0064834.P001, BIM-0005050.P001
Technical Specifications
| Molecular Formula | C9H9N3O4 |
| Molecular Weight | 223.05931 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.05931 Da |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
| SMILES | CC1(N(C2=C([N+]1=O)C=CC(=C2)[N+](=O)[O-])[O-])C |
| InChIKey | YLVSVJDCTDBERH-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide
Property Insights of 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide. Following Lipinski's Rule of Five, 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide 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
What is the CAS number of 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide?
The CAS number of 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide is 163126-81-6.
What is the molecular formula of 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide?
The molecular formula of 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide is C9H9N3O4.
What is the molecular weight of 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide?
The molecular weight of 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide is 223.05931 g/mol.
Where can I buy 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide?
You can request a quote for 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide?
Yes, CoreyChem provides custom synthesis services for 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.