![4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate structure](/static/products/3384/338410-48-3.webp)
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate
TL;DR: 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate (CAS 338410-48-3) is a chemical compound with molecular formula C15H11ClF3NO2 and molecular weight 329.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] acetate
Also Known As: 3J-044, 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate, [4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] acetate, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenyl acetate, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenylacetate
| Molecular Formula | C15H11ClF3NO2 |
|---|---|
| Molecular Weight | 329.04 g/mol |
| LogP | 4.2699 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.04303 |
| Heavy Atoms | 22 |
| Complexity | 684.1772 |
Chemical Identifiers
| CAS Number | 338410-48-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)CC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate (CAS 338410-48-3), with molecular formula C15H11ClF3NO2 and molecular weight 329.04 g/mol. IUPAC: [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] acetate.
Chemical Property Profile of 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate
Property Insights of 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate
The XLogP value of 4.2699 indicates that 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate 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-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate?
The CAS number of 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate is 338410-48-3.
What is the molecular formula of 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate?
The molecular formula of 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate is C15H11ClF3NO2.
What is the molecular weight of 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate?
The molecular weight of 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate is 329.04 g/mol.
Where can I buy 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate?
You can request a quote for 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.