Imidazole-4-carboxaldehyde
TL;DR: Imidazole-4-carboxaldehyde (CAS 3034-50-2) is a chemical compound with molecular formula C4H4N2O and molecular weight 96.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-imidazole-5-carbaldehyde
Also Known As: 1H-Imidazole-4-carbaldehyde, 1H-imidazole-5-carbaldehyde, Imidazole-4-carbaldehyde, 4-Formylimidazole, 4-Imidazolecarboxaldehyde
| Molecular Formula | C4H4N2O |
|---|---|
| Molecular Weight | 96.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.032364 |
| Heavy Atoms | 7 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 3034-50-2 |
|---|---|
| SMILES | C1=C(NC=N1)C=O |
| InChIKey | ZQEXIXXJFSQPNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imidazole-4-carboxaldehyde (CAS 3034-50-2), with molecular formula C4H4N2O and molecular weight 96.03 g/mol. IUPAC: 1H-imidazole-5-carbaldehyde.
Chemical Property Profile of Imidazole-4-carboxaldehyde
Property Insights of Imidazole-4-carboxaldehyde
The XLogP value of -0.1 indicates that Imidazole-4-carboxaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.8 Ų, Imidazole-4-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imidazole-4-carboxaldehyde has 1 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 Imidazole-4-carboxaldehyde?
The CAS number of Imidazole-4-carboxaldehyde is 3034-50-2.
What is the molecular formula of Imidazole-4-carboxaldehyde?
The molecular formula of Imidazole-4-carboxaldehyde is C4H4N2O.
What is the molecular weight of Imidazole-4-carboxaldehyde?
The molecular weight of Imidazole-4-carboxaldehyde is 96.03 g/mol.
Where can I buy Imidazole-4-carboxaldehyde?
You can request a quote for Imidazole-4-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole-4-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Imidazole-4-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.