1-(1-oxopropyl)-1H-imidazole
TL;DR: 1-(1-oxopropyl)-1H-imidazole (CAS 4122-52-5) is a chemical compound with molecular formula C6H8N2O and molecular weight 124.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-imidazol-1-ylpropan-1-one
Also Known As: N-Propionylimidazole, 1-Propionylimidazole, N-Propanoylimidazole, Propionylimidazolide, 1-(1H-imidazol-1-yl)propan-1-one
| Molecular Formula | C6H8N2O |
|---|---|
| Molecular Weight | 124.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.06366 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 4122-52-5 |
|---|---|
| SMILES | CCC(=O)N1C=CN=C1 |
| InChIKey | GDBUORNHWAZSNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-oxopropyl)-1H-imidazole (CAS 4122-52-5), with molecular formula C6H8N2O and molecular weight 124.06 g/mol. IUPAC: 1-imidazol-1-ylpropan-1-one.
Chemical Property Profile of 1-(1-oxopropyl)-1H-imidazole
Property Insights of 1-(1-oxopropyl)-1H-imidazole
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-oxopropyl)-1H-imidazole. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(1-oxopropyl)-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-oxopropyl)-1H-imidazole 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-(1-oxopropyl)-1H-imidazole?
The CAS number of 1-(1-oxopropyl)-1H-imidazole is 4122-52-5.
What is the molecular formula of 1-(1-oxopropyl)-1H-imidazole?
The molecular formula of 1-(1-oxopropyl)-1H-imidazole is C6H8N2O.
What is the molecular weight of 1-(1-oxopropyl)-1H-imidazole?
The molecular weight of 1-(1-oxopropyl)-1H-imidazole is 124.06 g/mol.
Where can I buy 1-(1-oxopropyl)-1H-imidazole?
You can request a quote for 1-(1-oxopropyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-oxopropyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-oxopropyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.