N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate
TL;DR: N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate (CAS 77234-71-0) is a chemical compound with molecular formula C17H17ClN2O2 and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-imidazol-1-ium-1-yl)-1-(4-phenoxyphenyl)ethanol chloride
Also Known As: N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate, 2-imidazol-1-ium-1-yl-1-(4-phenoxyphenyl)ethanol chloride, ACETOPHENONE, 2-(1-IMIDAZOLYL)-4'-PHENOXY-, HYDROCHLORIDE, HYDRATE, 2-(1H-imidazol-1-ium-1-yl)-1-(4-phenoxyphenyl)ethanol chloride
| Molecular Formula | C17H17ClN2O2 |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | -1.09 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.09787 |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 77234-71-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C(C[NH+]3C=CN=C3)O.[Cl-] |
| InChIKey | ZJRLAXXWQHSIBZ-UHFFFAOYSA-N |
Product Overview
N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate (CAS 77234-71-0), with molecular formula C17H17ClN2O2 and molecular weight 316.10 g/mol. IUPAC: 2-(1H-imidazol-1-ium-1-yl)-1-(4-phenoxyphenyl)ethanol chloride.
Chemical Property Profile of N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate
Property Insights of N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate
The XLogP value of -1.09 indicates that N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.3 Ų, N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate has 2 hydrogen bond donor(s) and 4 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 N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate?
The CAS number of N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate is 77234-71-0.
What is the molecular formula of N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate?
The molecular formula of N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate is C17H17ClN2O2.
What is the molecular weight of N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate?
The molecular weight of N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate is 316.10 g/mol.
Where can I buy N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate?
You can request a quote for N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.