咪唑-4-乙醛
TL;DR: 咪唑-4-乙醛 (CAS 645-14-7) 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.
咪唑-4-乙醛
2-(1H-imidazol-5-yl)acetaldehyde
Also Known As: Imidazole-4-acetaldehyde, Imidazole acetaldehyde, 1H-Imidazole-4-acetaldehyde, 1H-Imidazole-5-acetaldehyde, 2-(1H-imidazol-5-yl)acetaldehyde
| Molecular Formula | C5H6N2O |
|---|---|
| Molecular Weight | 110.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 110.04801 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 645-14-7 |
|---|---|
| SMILES | C1=C(NC=N1)CC=O |
| InChIKey | MQSRGWNVEZRLDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
咪唑-4-乙醛 (CAS 645-14-7), with molecular formula C5H6N2O and molecular weight 110.05 g/mol. IUPAC: 2-(1H-imidazol-5-yl)acetaldehyde.
Chemical Property Profile of 咪唑-4-乙醛
Property Insights of 咪唑-4-乙醛
The XLogP value of -0.5 indicates that 咪唑-4-乙醛 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, 咪唑-4-乙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 咪唑-4-乙醛 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 咪唑-4-乙醛?
The CAS number of 咪唑-4-乙醛 is 645-14-7.
What is the molecular formula of 咪唑-4-乙醛?
The molecular formula of 咪唑-4-乙醛 is C5H6N2O.
What is the molecular weight of 咪唑-4-乙醛?
The molecular weight of 咪唑-4-乙醛 is 110.05 g/mol.
Where can I buy 咪唑-4-乙醛?
You can request a quote for 咪唑-4-乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 咪唑-4-乙醛?
Yes, KEHONG BIO provides custom synthesis services for 咪唑-4-乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.