![2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)- structure](/static/products/898/898237-87-1.png)
2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)-
TL;DR: 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)- (CAS 898237-87-1) is a chemical compound with molecular formula C14H15F3O2 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
Also Known As: 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)-, butyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
| Molecular Formula | C14H15F3O2 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.10242 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 898237-87-1 |
|---|---|
| SMILES | CCCCOC(=O)C=CC1=CC(=CC=C1)C(F)(F)F |
| InChIKey | RDQYFKFIUCPJLN-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)- (CAS 898237-87-1), with molecular formula C14H15F3O2 and molecular weight 272.10 g/mol. IUPAC: butyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)-
Property Insights of 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)-
The XLogP value of 4.3 indicates that 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)- has 0 hydrogen bond donor(s) and 5 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 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)-?
The CAS number of 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)- is 898237-87-1.
What is the molecular formula of 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)-?
The molecular formula of 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)- is C14H15F3O2.
What is the molecular weight of 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)-?
The molecular weight of 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)- is 272.10 g/mol.
Where can I buy 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)-?
You can request a quote for 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, butyl ester, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.