![Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate structure](/static/products/1164/1164460-28-9.webp)
Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate
TL;DR: Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate (CAS 1164460-28-9) is a chemical compound with molecular formula C16H11ClF3NO2 and molecular weight 341.04303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate
Also Known As: benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acrylate, benzyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate
Technical Specifications
| Molecular Formula | C16H11ClF3NO2 |
| Molecular Weight | 341.04303 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.04303 Da |
| Heavy Atoms | 23 |
| Complexity | 422.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)C=CC2=C(C=C(C=N2)C(F)(F)F)Cl |
| InChIKey | QQFAEOWNLJZHKN-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate
Property Insights of Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate
The XLogP value of 4.2 indicates that Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate?
The CAS number of Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate is 1164460-28-9.
What is the molecular formula of Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate?
The molecular formula of Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate is C16H11ClF3NO2.
What is the molecular weight of Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate?
The molecular weight of Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate is 341.04303 g/mol.
Where can I buy Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate?
You can request a quote for Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Benzyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.