Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride
TL;DR: Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride (CAS 77234-73-2) is a chemical compound with molecular formula C15H19ClN2O and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butan-2-ylphenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride
Also Known As: N-((4-sec-Butylbenzoyl)methyl)imidazole hydrochloride, ACETOPHENONE, 4'-sec-BUTYL-2-(1-IMIDAZOLYL)-, HYDROCHLORIDE, Acetophenone,4'-sec-butyl-2-(1-imidazolyl)-hcl, ACETOPHENONE,4'-SEC-BUTYL-2-(1-IMIDAZOLYL)- HCL, 1-(4-butan-2-ylphenyl)-2-imidazol-1-ium-1-ylethanone chloride
| Molecular Formula | C15H19ClN2O |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | -1.22 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.1186 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 77234-73-2 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)C(=O)C[NH+]2C=CN=C2.[Cl-] |
| InChIKey | SSKFWNWEKJXPGN-UHFFFAOYSA-N |
Product Overview
Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride (CAS 77234-73-2), with molecular formula C15H19ClN2O and molecular weight 278.12 g/mol. IUPAC: 1-(4-butan-2-ylphenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride.
Chemical Property Profile of Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride
Property Insights of Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride
The XLogP value of -1.22 indicates that Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.9 Ų, Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride?
The CAS number of Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride is 77234-73-2.
What is the molecular formula of Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride?
The molecular formula of Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride is C15H19ClN2O.
What is the molecular weight of Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride?
The molecular weight of Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride is 278.12 g/mol.
Where can I buy Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride?
You can request a quote for Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.