1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one
TL;DR: 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one (CAS 69393-41-5) is a chemical compound with molecular formula C11H16N2O and molecular weight 192.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one
Also Known As: 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one, 1- -4,4-dimethyl-5-hexen-1-one, 4(5)-(4',4'-Dimethyl-5'-hexenoyl)imidazole, 5-Hexen-1-one, 1-(1H-imidazol-4-yl)-4,4-dimethyl-, 1-(1H-Imidazol-4-yl)-4,4-dimethyl-5-hexen-1-one
| Molecular Formula | C11H16N2O |
|---|---|
| Molecular Weight | 192.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.12627 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 69393-41-5 |
|---|---|
| SMILES | CC(C)(CCC(=O)C1=CN=CN1)C=C |
| InChIKey | LERKAXHVNRZUBT-UHFFFAOYSA-N |
Product Overview
1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one (CAS 69393-41-5), with molecular formula C11H16N2O and molecular weight 192.13 g/mol. IUPAC: 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one.
Chemical Property Profile of 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one
Property Insights of 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-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
Frequently Asked Questions
What is the CAS number of 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one?
The CAS number of 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one is 69393-41-5.
What is the molecular formula of 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one?
The molecular formula of 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one is C11H16N2O.
What is the molecular weight of 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one?
The molecular weight of 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one is 192.13 g/mol.
Where can I buy 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one?
You can request a quote for 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-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-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.