1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride
TL;DR: 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride (CAS 111076-89-2) is a chemical compound with molecular formula C13H15ClN2O and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-imidazol-1-yl-2-methyl-1-phenylpropan-1-one;hydrochloride
Also Known As: NKI 9994, 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride, 2-imidazol-1-yl-2-methyl-1-phenyl-propan-1-one Hydrochloride, 2-imidazol-1-yl-2-methyl-1-phenylpropan-1-one hydrochloride, 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, hydrochloride (1:1)
| Molecular Formula | C13H15ClN2O |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | 2.9229 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0873 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 111076-89-2 |
|---|---|
| SMILES | CC(C)(C(=O)C1=CC=CC=C1)N2C=CN=C2.Cl |
| InChIKey | HNRWOTZBEMETKB-UHFFFAOYSA-N |
Product Overview
1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride (CAS 111076-89-2), with molecular formula C13H15ClN2O and molecular weight 250.09 g/mol. IUPAC: 2-imidazol-1-yl-2-methyl-1-phenylpropan-1-one;hydrochloride.
Chemical Property Profile of 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride
Property Insights of 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride
The XLogP value of 2.9229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride. With a topological polar surface area (TPSA) of 34.9 Ų, 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride 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-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride?
The CAS number of 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride is 111076-89-2.
What is the molecular formula of 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride?
The molecular formula of 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride is C13H15ClN2O.
What is the molecular weight of 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride?
The molecular weight of 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride is 250.09 g/mol.
Where can I buy 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride?
You can request a quote for 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 2-(1H-imidazol-1-yl)-2-methyl-1-phenyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.