1-Imidazol-1-yl-3-methylbut-2-en-1-one
TL;DR: 1-Imidazol-1-yl-3-methylbut-2-en-1-one (CAS 61985-22-6) is a chemical compound with molecular formula C8H10N2O and molecular weight 150.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-imidazol-1-yl-3-methylbut-2-en-1-one
Also Known As: 1-Imidazol-1-yl-3-methylbut-2-en-1-one, 1-(3-Methyl-2-butenoyl)-1H-imidazole, 1-(3-Methyl-2-butenoyl)-1H-imidazole #, 1-(3-methyl-1-oxo-2-butenyl)-1H-imidazole, 1H-Imidazole, 1-(3-methyl-1-oxo-2-butenyl)-
| Molecular Formula | C8H10N2O |
|---|---|
| Molecular Weight | 150.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.07932 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 61985-22-6 |
|---|---|
| SMILES | CC(=CC(=O)N1C=CN=C1)C |
| InChIKey | NPRCFJRDKXXYIL-UHFFFAOYSA-N |
Product Overview
1-Imidazol-1-yl-3-methylbut-2-en-1-one (CAS 61985-22-6), with molecular formula C8H10N2O and molecular weight 150.08 g/mol. IUPAC: 1-imidazol-1-yl-3-methylbut-2-en-1-one.
Chemical Property Profile of 1-Imidazol-1-yl-3-methylbut-2-en-1-one
Property Insights of 1-Imidazol-1-yl-3-methylbut-2-en-1-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Imidazol-1-yl-3-methylbut-2-en-1-one. With a topological polar surface area (TPSA) of 34.9 Ų, 1-Imidazol-1-yl-3-methylbut-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Imidazol-1-yl-3-methylbut-2-en-1-one 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-Imidazol-1-yl-3-methylbut-2-en-1-one?
The CAS number of 1-Imidazol-1-yl-3-methylbut-2-en-1-one is 61985-22-6.
What is the molecular formula of 1-Imidazol-1-yl-3-methylbut-2-en-1-one?
The molecular formula of 1-Imidazol-1-yl-3-methylbut-2-en-1-one is C8H10N2O.
What is the molecular weight of 1-Imidazol-1-yl-3-methylbut-2-en-1-one?
The molecular weight of 1-Imidazol-1-yl-3-methylbut-2-en-1-one is 150.08 g/mol.
Where can I buy 1-Imidazol-1-yl-3-methylbut-2-en-1-one?
You can request a quote for 1-Imidazol-1-yl-3-methylbut-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Imidazol-1-yl-3-methylbut-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Imidazol-1-yl-3-methylbut-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.