Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone
TL;DR: Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone (CAS 333396-18-2) is a chemical compound with molecular formula C14H9N3O3 and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzimidazol-1-yl-(3-nitrophenyl)methanone
Also Known As: benzimidazolyl 3-nitrophenyl ketone, benzimidazol-1-yl-(3-nitrophenyl)methanone, BAS 00481873, Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone, 1H-benzimidazol-1-yl(3-nitrophenyl)methanone
| Molecular Formula | C14H9N3O3 |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.0644 |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 333396-18-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | HCFBWXQLELJJQJ-UHFFFAOYSA-N |
Product Overview
Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone (CAS 333396-18-2), with molecular formula C14H9N3O3 and molecular weight 267.06 g/mol. IUPAC: benzimidazol-1-yl-(3-nitrophenyl)methanone.
Chemical Property Profile of Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone
Property Insights of Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone. Following Lipinski's Rule of Five, Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone 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 Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone?
The CAS number of Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone is 333396-18-2.
What is the molecular formula of Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone?
The molecular formula of Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone is C14H9N3O3.
What is the molecular weight of Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone?
The molecular weight of Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone is 267.06 g/mol.
Where can I buy Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone?
You can request a quote for Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzoimidazol-1-yl-(3-nitro-phenyl)-methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.