3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile
TL;DR: 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile (CAS 105098-95-1) is a chemical compound with molecular formula C17H11ClN4O3 and molecular weight 354.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-5-nitrophenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile
Also Known As: 3-(2-chloro-5-nitrophenyl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)-3-oxopropanenitrile, 3-(2-CL-5-NITRO-PHENYL)-2-(1-METHYL-1H-BENZOIMIDAZOL-2-YL)-3-OXO-PROPIONITRILE, 3-(2-chloro-5-nitrophenyl)-2-(1-methyl-1,3-benzodiazol-2-yl)-3-oxopropanenitrile, 3-(2-chloro-5-nitrophenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile, 682-969-5
| Molecular Formula | C17H11ClN4O3 |
|---|---|
| Molecular Weight | 354.05 g/mol |
| LogP | 3.62498 |
| Topological Polar Surface Area | 101.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.05197 |
| Heavy Atoms | 25 |
| Complexity | 1051.7179 |
Chemical Identifiers
| CAS Number | 105098-95-1 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile (CAS 105098-95-1), with molecular formula C17H11ClN4O3 and molecular weight 354.05 g/mol. IUPAC: 3-(2-chloro-5-nitrophenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile
Property Insights of 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile
The XLogP value of 3.62498 indicates that 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile. Following Lipinski's Rule of Five, 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile has 0 hydrogen bond donor(s) and 5 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 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile?
The CAS number of 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile is 105098-95-1.
What is the molecular formula of 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile?
The molecular formula of 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile is C17H11ClN4O3.
What is the molecular weight of 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile?
The molecular weight of 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile is 354.05 g/mol.
Where can I buy 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile?
You can request a quote for 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-CL-5-Nitro-phenyl)-2-(1-methyl-1H-benzoimidazol-2-YL)-3-oxo-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.