1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile
TL;DR: 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile (CAS 400084-57-3) is a chemical compound with molecular formula C12H5ClN4O and molecular weight 256.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobenzoyl)imidazole-4,5-dicarbonitrile
Also Known As: 1-(4-chlorobenzoyl)imidazole-4,5-dicarbonitrile, 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile, 6C-039
| Molecular Formula | C12H5ClN4O |
|---|---|
| Molecular Weight | 256.02 g/mol |
| LogP | 1.96836 |
| Topological Polar Surface Area | 82.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0152 |
| Heavy Atoms | 18 |
| Complexity | 688.34796 |
Chemical Identifiers
| CAS Number | 400084-57-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N2C=NC(=C2C#N)C#N)Cl |
Product Overview
1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile (CAS 400084-57-3), with molecular formula C12H5ClN4O and molecular weight 256.02 g/mol. IUPAC: 1-(4-chlorobenzoyl)imidazole-4,5-dicarbonitrile.
Chemical Property Profile of 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile
Property Insights of 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile
The XLogP value of 1.96836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile. The TPSA of 82.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile. Following Lipinski's Rule of Five, 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile 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-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile?
The CAS number of 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile is 400084-57-3.
What is the molecular formula of 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile?
The molecular formula of 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile is C12H5ClN4O.
What is the molecular weight of 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile?
The molecular weight of 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile is 256.02 g/mol.
Where can I buy 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile?
You can request a quote for 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzoyl)-1H-imidazole-4,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.