(4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate
TL;DR: (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate (CAS 650592-35-1) is a chemical compound with molecular formula C12H7Cl2F3N2O2 and molecular weight 337.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate
Also Known As: (4,5-dichloro-1H-imidazol-1-yl)methyl 3-(trifluoromethyl)benzoate, (4,5-dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate
| Molecular Formula | C12H7Cl2F3N2O2 |
|---|---|
| Molecular Weight | 337.98 g/mol |
| LogP | 4.0232 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.98367 |
| Heavy Atoms | 21 |
| Complexity | 670.7624 |
Chemical Identifiers
| CAS Number | 650592-35-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCN2C=NC(=C2Cl)Cl |
Product Overview
(4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate (CAS 650592-35-1), with molecular formula C12H7Cl2F3N2O2 and molecular weight 337.98 g/mol. IUPAC: (4,5-dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate.
Chemical Property Profile of (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate
Property Insights of (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate
The XLogP value of 4.0232 indicates that (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate has 0 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 (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate?
The CAS number of (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate is 650592-35-1.
What is the molecular formula of (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate?
The molecular formula of (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate is C12H7Cl2F3N2O2.
What is the molecular weight of (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate?
The molecular weight of (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate is 337.98 g/mol.
Where can I buy (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate?
You can request a quote for (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4,5-Dichloroimidazol-1-yl)methyl 3-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.