2-bromo-1H-imidazole-4,5-dicarbonitrile
TL;DR: 2-bromo-1H-imidazole-4,5-dicarbonitrile (CAS 50847-09-1) is a chemical compound with molecular formula C5HBrN4 and molecular weight 195.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1H-imidazole-4,5-dicarbonitrile
Also Known As: 2-bromo-1H-imidazole-4,5-dicarbonitrile, C5HBrN4, 2-bromoimidazole-4,5-dicarbonitrile, 2-bromo-4,5-dicyanoimidazole, 4,5-dicyano-2-bromoimidazole
| Molecular Formula | C5HBrN4 |
|---|---|
| Molecular Weight | 195.94 g/mol |
| LogP | 0.91556 |
| Topological Polar Surface Area | 76.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.93846 |
| Heavy Atoms | 10 |
| Complexity | 294.89764 |
Chemical Identifiers
| CAS Number | 50847-09-1 |
|---|---|
| SMILES | C(#N)C1=C(N=C(N1)Br)C#N |
Product Overview
2-bromo-1H-imidazole-4,5-dicarbonitrile (CAS 50847-09-1), with molecular formula C5HBrN4 and molecular weight 195.94 g/mol. IUPAC: 2-bromo-1H-imidazole-4,5-dicarbonitrile.
Chemical Property Profile of 2-bromo-1H-imidazole-4,5-dicarbonitrile
Property Insights of 2-bromo-1H-imidazole-4,5-dicarbonitrile
The XLogP value of 0.91556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-1H-imidazole-4,5-dicarbonitrile. The TPSA of 76.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-1H-imidazole-4,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-bromo-1H-imidazole-4,5-dicarbonitrile 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 2-bromo-1H-imidazole-4,5-dicarbonitrile?
The CAS number of 2-bromo-1H-imidazole-4,5-dicarbonitrile is 50847-09-1.
What is the molecular formula of 2-bromo-1H-imidazole-4,5-dicarbonitrile?
The molecular formula of 2-bromo-1H-imidazole-4,5-dicarbonitrile is C5HBrN4.
What is the molecular weight of 2-bromo-1H-imidazole-4,5-dicarbonitrile?
The molecular weight of 2-bromo-1H-imidazole-4,5-dicarbonitrile is 195.94 g/mol.
Where can I buy 2-bromo-1H-imidazole-4,5-dicarbonitrile?
You can request a quote for 2-bromo-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 2-bromo-1H-imidazole-4,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-1H-imidazole-4,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.