4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one
TL;DR: 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one (CAS 62353-29-1) is a chemical compound with molecular formula C7H2N6O9 and molecular weight 313.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one
Also Known As: 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one, J3.546.096I, 4,5,6,7-tetranitro-1,3-dihydro-2H-benzimidazol-2-one, A1225/0056499, 4,5,6,7-tetranitro-2,3-dihydro-1h-benzimidazol-2-one
| Molecular Formula | C7H2N6O9 |
|---|---|
| Molecular Weight | 313.99 g/mol |
| LogP | 0.489 |
| Topological Polar Surface Area | 221.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.9883 |
| Heavy Atoms | 22 |
| Complexity | 850.6586 |
Chemical Identifiers
| CAS Number | 62353-29-1 |
|---|---|
| SMILES | C12=C(C(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])NC(=O)N2 |
Product Overview
4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one (CAS 62353-29-1), with molecular formula C7H2N6O9 and molecular weight 313.99 g/mol. IUPAC: 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one.
Chemical Property Profile of 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one
Property Insights of 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one
The XLogP value of 0.489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one. The TPSA of 221.21 Ų indicates high polarity, suggesting 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one has 2 hydrogen bond donor(s) and 9 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 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one?
The CAS number of 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one is 62353-29-1.
What is the molecular formula of 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one?
The molecular formula of 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one is C7H2N6O9.
What is the molecular weight of 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one?
The molecular weight of 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one is 313.99 g/mol.
Where can I buy 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one?
You can request a quote for 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.