1-(6-Nitrobenzimidazol-1-yl)ethanone
TL;DR: 1-(6-Nitrobenzimidazol-1-yl)ethanone (CAS 57155-21-2) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-nitrobenzimidazol-1-yl)ethanone
Also Known As: 1-(6-nitrobenzimidazol-1-yl)ethanone, 1-acetyl-6-nitrobenzimidazole, 1-(6-nitro-1H-benzimidazol-1-yl)ethanone, ethanone,1-(6-nitro-1h-benzimidazol-1-yl)-, 1-(6-Nitro-1H-1,3-benzodiazol-1-yl)ethan-1-one
| Molecular Formula | C9H7N3O3 |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 1.6046 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.04874 |
| Heavy Atoms | 15 |
| Complexity | 558.72797 |
Chemical Identifiers
| CAS Number | 57155-21-2 |
|---|---|
| SMILES | CC(=O)N1C=NC2=C1C=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(6-Nitrobenzimidazol-1-yl)ethanone (CAS 57155-21-2), with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol. IUPAC: 1-(6-nitrobenzimidazol-1-yl)ethanone.
Chemical Property Profile of 1-(6-Nitrobenzimidazol-1-yl)ethanone
Property Insights of 1-(6-Nitrobenzimidazol-1-yl)ethanone
The XLogP value of 1.6046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Nitrobenzimidazol-1-yl)ethanone. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Nitrobenzimidazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(6-Nitrobenzimidazol-1-yl)ethanone has 0 hydrogen bond donor(s) and 4 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-(6-Nitrobenzimidazol-1-yl)ethanone?
The CAS number of 1-(6-Nitrobenzimidazol-1-yl)ethanone is 57155-21-2.
What is the molecular formula of 1-(6-Nitrobenzimidazol-1-yl)ethanone?
The molecular formula of 1-(6-Nitrobenzimidazol-1-yl)ethanone is C9H7N3O3.
What is the molecular weight of 1-(6-Nitrobenzimidazol-1-yl)ethanone?
The molecular weight of 1-(6-Nitrobenzimidazol-1-yl)ethanone is 205.05 g/mol.
Where can I buy 1-(6-Nitrobenzimidazol-1-yl)ethanone?
You can request a quote for 1-(6-Nitrobenzimidazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Nitrobenzimidazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Nitrobenzimidazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.