4-hydroxy-1H-imidazole-5-carbonitrile
TL;DR: 4-hydroxy-1H-imidazole-5-carbonitrile (CAS 79713-03-4) 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.
4-hydroxy-1H-imidazole-5-carbonitrile
Also Known As: 4-hydroxy-1H-imidazole-5-carbonitrile, 5-hydroxy-1H-imidazole-4-carbonitrile, 1H-Imidazole-4-carbonitrile, 5-hydroxy-, 5-hydroxy-3H-imidazole-4-carbonitrile, RefChem:293131
| Molecular Formula | C4H3N3O |
|---|---|
| Molecular Weight | 109.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.02761 |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 79713-03-4 |
|---|---|
| SMILES | C1=NC(=C(N1)C#N)O |
| InChIKey | WMJORRSQKXCYDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-hydroxy-1H-imidazole-5-carbonitrile (CAS 79713-03-4), with molecular formula C4H3N3O and molecular weight 109.03 g/mol. IUPAC: 4-hydroxy-1H-imidazole-5-carbonitrile.
Chemical Property Profile of 4-hydroxy-1H-imidazole-5-carbonitrile
Property Insights of 4-hydroxy-1H-imidazole-5-carbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-1H-imidazole-5-carbonitrile. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-1H-imidazole-5-carbonitrile. Following Lipinski's Rule of Five, 4-hydroxy-1H-imidazole-5-carbonitrile has 2 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 4-hydroxy-1H-imidazole-5-carbonitrile?
The CAS number of 4-hydroxy-1H-imidazole-5-carbonitrile is 79713-03-4.
What is the molecular formula of 4-hydroxy-1H-imidazole-5-carbonitrile?
The molecular formula of 4-hydroxy-1H-imidazole-5-carbonitrile is C4H3N3O.
What is the molecular weight of 4-hydroxy-1H-imidazole-5-carbonitrile?
The molecular weight of 4-hydroxy-1H-imidazole-5-carbonitrile is 109.03 g/mol.
Where can I buy 4-hydroxy-1H-imidazole-5-carbonitrile?
You can request a quote for 4-hydroxy-1H-imidazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-1H-imidazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-1H-imidazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.