Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone
TL;DR: Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone (CAS 314022-87-2) is a chemical compound with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone
Also Known As: benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone, benzimidazolyl 2-methyl-3-nitrophenyl ketone, 1-(2-methyl-3-nitrobenzoyl)-1H-benzimidazole, 1-{3-nitro-2-methylbenzoyl}-1H-benzimidazole, 1H-benzimidazol-1-yl(2-methyl-3-nitrophenyl)methanone
| Molecular Formula | C15H11N3O3 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.08005 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 314022-87-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2C=NC3=CC=CC=C32 |
| InChIKey | VDYJQQDNEQYZRB-UHFFFAOYSA-N |
Product Overview
Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone (CAS 314022-87-2), with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol. IUPAC: benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone.
Chemical Property Profile of Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone
Property Insights of Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone
The XLogP value of 3.2 indicates that Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone. Following Lipinski's Rule of Five, Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)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 Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone?
The CAS number of Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone is 314022-87-2.
What is the molecular formula of Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone?
The molecular formula of Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone is C15H11N3O3.
What is the molecular weight of Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone?
The molecular weight of Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone is 281.08 g/mol.
Where can I buy Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone?
You can request a quote for Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazol-1-yl-(2-methyl-3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.