3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile
TL;DR: 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile (CAS 65020-63-5) is a chemical compound with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-nitrophenyl)imidazol-1-yl]propanenitrile
Also Known As: 3-[4-(4-nitrophenyl)imidazol-1-yl]propanenitrile, 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile
| Molecular Formula | C12H10N4O2 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 2.37198 |
| Topological Polar Surface Area | 84.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.08037 |
| Heavy Atoms | 18 |
| Complexity | 595.28516 |
Chemical Identifiers
| CAS Number | 65020-63-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CN(C=N2)CCC#N)[N+](=O)[O-] |
Product Overview
3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile (CAS 65020-63-5), with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol. IUPAC: 3-[4-(4-nitrophenyl)imidazol-1-yl]propanenitrile.
Chemical Property Profile of 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile
Property Insights of 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile
The XLogP value of 2.37198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile. The TPSA of 84.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile 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 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile?
The CAS number of 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile is 65020-63-5.
What is the molecular formula of 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile?
The molecular formula of 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile is C12H10N4O2.
What is the molecular weight of 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile?
The molecular weight of 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile is 242.08 g/mol.
Where can I buy 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile?
You can request a quote for 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(4-nitrophenyl)-1H-imidazol-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.