Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate
TL;DR: Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate (CAS 507448-65-9) is a chemical compound with molecular formula C7H10F3NO2 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate
Also Known As: Ciclopramine, ethyl 4,4,4-trifluoro-3-(methylamino)but-2-enoate, Ethyl 3-methylamino-4,4,4-trifluorocrotonate, HkNDpJePdDdLdLbdLRtrjiijAEP, ethyl (Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate
| Molecular Formula | C7H10F3NO2 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 1.2151 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.06636 |
| Heavy Atoms | 13 |
| Complexity | 210.27342 |
Chemical Identifiers
| CAS Number | 507448-65-9 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C(F)(F)F)\NC |
Product Overview
Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate (CAS 507448-65-9), with molecular formula C7H10F3NO2 and molecular weight 197.07 g/mol. IUPAC: ethyl (Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate.
Chemical Property Profile of Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate
Property Insights of Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate
The XLogP value of 1.2151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate 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 (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate?
The CAS number of Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate is 507448-65-9.
What is the molecular formula of Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate?
The molecular formula of Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate is C7H10F3NO2.
What is the molecular weight of Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate?
The molecular weight of Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate is 197.07 g/mol.
Where can I buy Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate?
You can request a quote for Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.