methyl]phenyl acetate structure](/static/products/3384/338410-39-2.webp)
4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate
TL;DR: 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate (CAS 338410-39-2) is a chemical compound with molecular formula C16H10ClF3N2O2 and molecular weight 354.04 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]-cyanomethyl]phenyl] acetate
Also Known As: Bionet1_003090, 3J-019, 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate, [4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-cyanomethyl]phenyl] acetate, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](cyano)methyl}phenyl acetate
| Molecular Formula | C16H10ClF3N2O2 |
|---|---|
| Molecular Weight | 354.04 g/mol |
| LogP | 4.33458 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.0383 |
| Heavy Atoms | 24 |
| Complexity | 798.4503 |
Chemical Identifiers
| CAS Number | 338410-39-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate (CAS 338410-39-2), with molecular formula C16H10ClF3N2O2 and molecular weight 354.04 g/mol. IUPAC: [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyanomethyl]phenyl] acetate.
Chemical Property Profile of 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate
Property Insights of 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate
The XLogP value of 4.33458 indicates that 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate. Following Lipinski's Rule of Five, 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate has 0 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 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate?
The CAS number of 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate is 338410-39-2.
What is the molecular formula of 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate?
The molecular formula of 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate is C16H10ClF3N2O2.
What is the molecular weight of 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate?
The molecular weight of 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate is 354.04 g/mol.
Where can I buy 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate?
You can request a quote for 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)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](cyano)methyl]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](cyano)methyl]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.