![Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate structure](/static/products/4000/400087-75-4.webp)
Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate
TL;DR: Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate (CAS 400087-75-4) is a chemical compound with molecular formula C14H14F3NO3 and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate
Also Known As: Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate, ethyl (E)-4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]-2-butenoate
| Molecular Formula | C14H14F3NO3 |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 2.73412 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0926 |
| Heavy Atoms | 21 |
| Complexity | 547.5778 |
Chemical Identifiers
| CAS Number | 400087-75-4 |
|---|---|
| SMILES | CCOC(=O)C=C(C(F)(F)F)NC(=O)C1=CC=C(C=C1)C |
Product Overview
Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate (CAS 400087-75-4), with molecular formula C14H14F3NO3 and molecular weight 301.09 g/mol. IUPAC: ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate.
Chemical Property Profile of Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate
Property Insights of Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate
The XLogP value of 2.73412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate has 1 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 Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate?
The CAS number of Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate is 400087-75-4.
What is the molecular formula of Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate?
The molecular formula of Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate is C14H14F3NO3.
What is the molecular weight of Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate?
The molecular weight of Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate is 301.09 g/mol.
Where can I buy Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate?
You can request a quote for Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4,4-trifluoro-3-[(4-methylbenzoyl)amino]but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.