1-methyl-1H-imidazole-5-carbaldehyde
TL;DR: 1-methyl-1H-imidazole-5-carbaldehyde (CAS 39384-04-8) is a chemical compound with molecular formula C5H6N2O and molecular weight 110.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylimidazole-4-carbaldehyde
Also Known As: 1-Methyl-1H-imidazole-5-carbaldehyde, 1-Methyl-1H-imidazole-5-carboxaldehyde, Unknown Ligand, 3-methylimidazole-4-carbaldehyde, ValethamateBromide
| Molecular Formula | C5H6N2O |
|---|---|
| Molecular Weight | 110.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.04801 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 39384-04-8 |
|---|---|
| SMILES | CN1C=NC=C1C=O |
| InChIKey | BNYKZFOZWZMEJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-1H-imidazole-5-carbaldehyde (CAS 39384-04-8), with molecular formula C5H6N2O and molecular weight 110.05 g/mol. IUPAC: 3-methylimidazole-4-carbaldehyde.
Chemical Property Profile of 1-methyl-1H-imidazole-5-carbaldehyde
Property Insights of 1-methyl-1H-imidazole-5-carbaldehyde
The XLogP value of -0.2 indicates that 1-methyl-1H-imidazole-5-carbaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.9 Ų, 1-methyl-1H-imidazole-5-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-1H-imidazole-5-carbaldehyde has 0 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 1-methyl-1H-imidazole-5-carbaldehyde?
The CAS number of 1-methyl-1H-imidazole-5-carbaldehyde is 39384-04-8.
What is the molecular formula of 1-methyl-1H-imidazole-5-carbaldehyde?
The molecular formula of 1-methyl-1H-imidazole-5-carbaldehyde is C5H6N2O.
What is the molecular weight of 1-methyl-1H-imidazole-5-carbaldehyde?
The molecular weight of 1-methyl-1H-imidazole-5-carbaldehyde is 110.05 g/mol.
Where can I buy 1-methyl-1H-imidazole-5-carbaldehyde?
You can request a quote for 1-methyl-1H-imidazole-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-1H-imidazole-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-1H-imidazole-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.