2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl-
TL;DR: 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl- (CAS 79759-31-2) is a chemical compound with molecular formula C13H9N3O3 and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-3-phenyl-1H-benzimidazol-2-one
Also Known As: 3-Phenyl-5-nitro-benzimidazolin-2-one, 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl-, 1,3-Dihydro-6-nitro-1-phenyl-2H-benzimidazol-2-one, 5-nitro-3-phenyl-1H-benzimidazol-2-one, 6-Nitro-1-phenyl-1,3-dihydro-2H-1,3-benzimidazol-2-one
| Molecular Formula | C13H9N3O3 |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 2.227 |
| Topological Polar Surface Area | 80.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.06439 |
| Heavy Atoms | 19 |
| Complexity | 818.01575 |
Chemical Identifiers
| CAS Number | 79759-31-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O |
Product Overview
2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl- (CAS 79759-31-2), with molecular formula C13H9N3O3 and molecular weight 255.06 g/mol. IUPAC: 5-nitro-3-phenyl-1H-benzimidazol-2-one.
Chemical Property Profile of 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl-
Property Insights of 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl-
The XLogP value of 2.227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl-. The TPSA of 80.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl-. Following Lipinski's Rule of Five, 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl- has 1 hydrogen bond donor(s) and 3 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 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl-?
The CAS number of 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl- is 79759-31-2.
What is the molecular formula of 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl-?
The molecular formula of 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl- is C13H9N3O3.
What is the molecular weight of 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl-?
The molecular weight of 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl- is 255.06 g/mol.
Where can I buy 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl-?
You can request a quote for 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benzimidazol-2-one, 1,3-dihydro-6-nitro-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.