1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride
TL;DR: 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride (CAS 78886-63-2) is a chemical compound with molecular formula C15H12Cl2N2O and molecular weight 306.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloronaphthalen-1-yl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride
Also Known As: 4'-Chloro-2-(1-imidazolyl)-1'-acetonaphthone hydrochloride, 1'-ACETONAPHTHONE, 4'-CHLORO-2-(1-IMIDAZOLYL)-, HYDROCHLORIDE, 1-(4-chloronaphthalen-1-yl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride, RefChem:1051380
| Molecular Formula | C15H12Cl2N2O |
|---|---|
| Molecular Weight | 306.03 g/mol |
| LogP | -0.92 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.03265 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 78886-63-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Cl)C(=O)C[NH+]3C=CN=C3.[Cl-] |
| InChIKey | XOIHJMZLGISTKX-UHFFFAOYSA-N |
Product Overview
1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride (CAS 78886-63-2), with molecular formula C15H12Cl2N2O and molecular weight 306.03 g/mol. IUPAC: 1-(4-chloronaphthalen-1-yl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride.
Chemical Property Profile of 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride
Property Insights of 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride
The XLogP value of -0.92 indicates that 1'-Acetonaphthone, 4'-chloro-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, 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-Acetonaphthone, 4'-chloro-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 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride?
The CAS number of 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride is 78886-63-2.
What is the molecular formula of 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride?
The molecular formula of 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride is C15H12Cl2N2O.
What is the molecular weight of 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride?
The molecular weight of 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride is 306.03 g/mol.
Where can I buy 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride?
You can request a quote for 1'-Acetonaphthone, 4'-chloro-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 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1'-Acetonaphthone, 4'-chloro-2-(1-imidazolyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.