1-(1H-imidazol-2-yl)-butan-1-one
TL;DR: 1-(1H-imidazol-2-yl)-butan-1-one (CAS 146234-31-3) is a chemical compound with molecular formula C7H10N2O and molecular weight 138.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1H-imidazol-2-yl)butan-1-one
Also Known As: 1-(1H-imidazol-2-yl)butan-1-one, Propyl(1H-imidazol-2-yl) ketone, 1-(1H-imidazol-2-yl)-butan-1-one, 1-(1H-imidazol-2-yl)-1-butanone, I14-22694
Technical Specifications
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.07932 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.07932 Da |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| SMILES | CCCC(=O)C1=NC=CN1 |
| InChIKey | YTQDJKXKROYDFV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1H-imidazol-2-yl)-butan-1-one
Property Insights of 1-(1H-imidazol-2-yl)-butan-1-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-imidazol-2-yl)-butan-1-one. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(1H-imidazol-2-yl)-butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-imidazol-2-yl)-butan-1-one 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
What is the CAS number of 1-(1H-imidazol-2-yl)-butan-1-one?
The CAS number of 1-(1H-imidazol-2-yl)-butan-1-one is 146234-31-3.
What is the molecular formula of 1-(1H-imidazol-2-yl)-butan-1-one?
The molecular formula of 1-(1H-imidazol-2-yl)-butan-1-one is C7H10N2O.
What is the molecular weight of 1-(1H-imidazol-2-yl)-butan-1-one?
The molecular weight of 1-(1H-imidazol-2-yl)-butan-1-one is 138.07932 g/mol.
Where can I buy 1-(1H-imidazol-2-yl)-butan-1-one?
You can request a quote for 1-(1H-imidazol-2-yl)-butan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1H-imidazol-2-yl)-butan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(1H-imidazol-2-yl)-butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.