1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one
TL;DR: 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one (CAS 61985-31-7) is a chemical compound with molecular formula C8H12N2O and molecular weight 152.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one
Also Known As: 1-(1H-Imidazol-4-yl)-2,2-dimethylpropan-1-one, 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one, 1-(1H-Imidazol-5-yl)-2,2-dimethyl-1-propanone, 1-(3H-Imidazol-4-yl)-2,2-dimethyl-propan-1-one, 1-(1H-Imidazol-5-yl)-2,2-dimethyl-1-propanone #
| Molecular Formula | C8H12N2O |
|---|---|
| Molecular Weight | 152.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.09496 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 61985-31-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)C1=CN=CN1 |
| InChIKey | YHKNXNLDHRCTLX-UHFFFAOYSA-N |
Product Overview
1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one (CAS 61985-31-7), with molecular formula C8H12N2O and molecular weight 152.09 g/mol. IUPAC: 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one.
Chemical Property Profile of 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one
Property Insights of 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-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)-2,2-dimethylpropan-1-one?
The CAS number of 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one is 61985-31-7.
What is the molecular formula of 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one?
The molecular formula of 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one is C8H12N2O.
What is the molecular weight of 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one?
The molecular weight of 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one is 152.09 g/mol.
Where can I buy 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one?
You can request a quote for 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-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)-2,2-dimethylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.