1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)-
TL;DR: 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)- (CAS 52685-70-8) is a chemical compound with molecular formula C8H8N4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yl-1H-imidazole-4,5-dicarbonitrile
Also Known As: 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)-, 2-propan-2-yl-1H-imidazole-4,5-dicarbonitrile, 2-Isopropyl-1H-imidazole-4,5-dicarbonitrile, 1H-Imidazole-4,5-dicarbonitrile,2-(1-methylethyl), 2-(Propan-2-yl)-1H-imidazole-4,5-dicarbonitrile
| Molecular Formula | C8H8N4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.27646 |
| Topological Polar Surface Area | 76.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.07489 |
| Heavy Atoms | 12 |
| Complexity | 329.89008 |
Chemical Identifiers
| CAS Number | 52685-70-8 |
|---|---|
| SMILES | CC(C)C1=NC(=C(N1)C#N)C#N |
Product Overview
1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)- (CAS 52685-70-8), with molecular formula C8H8N4 and molecular weight 160.07 g/mol. IUPAC: 2-propan-2-yl-1H-imidazole-4,5-dicarbonitrile.
Chemical Property Profile of 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)-
Property Insights of 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)-
The XLogP value of 1.27646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)-. The TPSA of 76.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)-. Following Lipinski's Rule of Five, 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)- has 1 hydrogen bond donor(s) and 3 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 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)-?
The CAS number of 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)- is 52685-70-8.
What is the molecular formula of 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)-?
The molecular formula of 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)- is C8H8N4.
What is the molecular weight of 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)-?
The molecular weight of 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)- is 160.07 g/mol.
Where can I buy 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)-?
You can request a quote for 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-4,5-dicarbonitrile, 2-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.