2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile
TL;DR: 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile (CAS 159263-03-3) is a chemical compound with molecular formula C4H3N3O and molecular weight 109.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-1,3-dihydroimidazole-4-carbonitrile
Also Known As: 2-oxo-1,3-dihydroimidazole-4-carbonitrile, 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile, 1H-Imidazole-4-carbonitrile, 2,3-dihydro-2-oxo-, 1H-Imidazole-4-carbonitrile,2,3-dihydro-2-oxo-(9CI)
| Molecular Formula | C4H3N3O |
|---|---|
| Molecular Weight | 109.03 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.02761 |
| Heavy Atoms | 8 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 159263-03-3 |
|---|---|
| SMILES | C1=C(NC(=O)N1)C#N |
| InChIKey | MVUWMWWYYQYMEQ-UHFFFAOYSA-N |
Product Overview
2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile (CAS 159263-03-3), with molecular formula C4H3N3O and molecular weight 109.03 g/mol. IUPAC: 2-oxo-1,3-dihydroimidazole-4-carbonitrile.
Chemical Property Profile of 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile
Property Insights of 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile
The XLogP value of -0.9 indicates that 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile has 2 hydrogen bond donor(s) and 2 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-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile?
The CAS number of 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile is 159263-03-3.
What is the molecular formula of 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile?
The molecular formula of 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile is C4H3N3O.
What is the molecular weight of 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile?
The molecular weight of 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile is 109.03 g/mol.
Where can I buy 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile?
You can request a quote for 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2,3-dihydro-1H-imidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.