RefChem:262001
TL;DR: RefChem:262001 (CAS 63074-12-4) is a chemical compound with molecular formula C11H12ClF3N2O and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
Also Known As: 2-Imidazoline, 2-((alpha,alpha,alpha-trifluoro-m-tolyloxy)methyl)-, hydrochloride, 2-((3-Trifluoromethylphenoxy)methyl)-2-imidazoline hydrochloride, 2-((alpha,alpha,alpha-Trifluoro-m-tolyloxy)methyl)-2-imidazoline hydrochloride, 2-[[3-(Trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1H-imidazol-1-iumchloride, 2-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
| Molecular Formula | C11H12ClF3N2O |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | -1.94 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.05902 |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 63074-12-4 |
|---|---|
| SMILES | C1CN=C([NH2+]1)COC2=CC=CC(=C2)C(F)(F)F.[Cl-] |
| InChIKey | ITVLIGTXSLXVRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:262001 (CAS 63074-12-4), with molecular formula C11H12ClF3N2O and molecular weight 280.06 g/mol. IUPAC: 2-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1H-imidazol-1-ium chloride.
Chemical Property Profile of RefChem:262001
Property Insights of RefChem:262001
The XLogP value of -1.94 indicates that RefChem:262001 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.2 Ų, RefChem:262001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:262001 has 1 hydrogen bond donor(s) and 6 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 RefChem:262001?
The CAS number of RefChem:262001 is 63074-12-4.
What is the molecular formula of RefChem:262001?
The molecular formula of RefChem:262001 is C11H12ClF3N2O.
What is the molecular weight of RefChem:262001?
The molecular weight of RefChem:262001 is 280.06 g/mol.
Where can I buy RefChem:262001?
You can request a quote for RefChem:262001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:262001?
Yes, KEHONG BIO provides custom synthesis services for RefChem:262001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.