1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one
TL;DR: 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one (CAS 3705-86-0) is a chemical compound with molecular formula C7H4N4O5 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dinitro-1,3-dihydrobenzimidazol-2-one
Also Known As: 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one, 5,6-DINITRO-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE, EINECS 223-049-1, 5,6-dinitro-1,3-dihydrobenzimidazol-2-one, Benzimidazole-2-one, 5,6-dinitro-
| Molecular Formula | C7H4N4O5 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 0.6726 |
| Topological Polar Surface Area | 134.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.01817 |
| Heavy Atoms | 16 |
| Complexity | 600.3312 |
Chemical Identifiers
| CAS Number | 3705-86-0 |
|---|---|
| SMILES | C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)N2 |
Product Overview
1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one (CAS 3705-86-0), with molecular formula C7H4N4O5 and molecular weight 224.02 g/mol. IUPAC: 5,6-dinitro-1,3-dihydrobenzimidazol-2-one.
Chemical Property Profile of 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one
Property Insights of 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one
The XLogP value of 0.6726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one. The TPSA of 134.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one. Following Lipinski's Rule of Five, 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one has 2 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 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one?
The CAS number of 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one is 3705-86-0.
What is the molecular formula of 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one?
The molecular formula of 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one is C7H4N4O5.
What is the molecular weight of 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one?
The molecular weight of 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one is 224.02 g/mol.
Where can I buy 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one?
You can request a quote for 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-5,6-dinitro-2H-benzimidazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.