2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester
TL;DR: 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester (CAS 128227-97-4) is a chemical compound with molecular formula C7H9F3O2 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluoro-2-methylbut-2-enoate
Also Known As: Ethyl 2-methyl-4,4,4-trifluorocrotonate, ethyl 4,4,4-trifluoro-2-methylbut-2-enoate, 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester, ethyl (E)-4,4,4-trifluoro-2-methylbut-2-enoate, ethyl (2E)-4,4,4-trifluoro-2-methylbut-2-enoate
| Molecular Formula | C7H9F3O2 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 2.0581 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.05547 |
| Heavy Atoms | 12 |
| Complexity | 193.31839 |
Chemical Identifiers
| CAS Number | 128227-97-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC(F)(F)F)C |
Product Overview
2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester (CAS 128227-97-4), with molecular formula C7H9F3O2 and molecular weight 182.06 g/mol. IUPAC: ethyl 4,4,4-trifluoro-2-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester
Property Insights of 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester
The XLogP value of 2.0581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester has 0 hydrogen bond donor(s) and 2 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-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester?
The CAS number of 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester is 128227-97-4.
What is the molecular formula of 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester?
The molecular formula of 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester is C7H9F3O2.
What is the molecular weight of 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester?
The molecular weight of 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester is 182.06 g/mol.
Where can I buy 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester?
You can request a quote for 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid,4,4,4-trifluoro-2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.