2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester
TL;DR: 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester (CAS 121303-76-2) 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 4,4,4-trifluoro-3-(methylamino)but-2-enoate
Also Known As: HkNDpJePdDdLdLbdLRtrjiijAEP, ethyl 4,4,4-trifluoro-3-(methylamino)but-2-enoate, Ethyl 3-methylamino-4,4,4-trifluorocrotonate, Ethyl 3-methylamino-4,4,4-trifluoro crotonate, Ethyl 3-(Methylamino)-4,4,4-Trifluorocrotonate
| 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 | 121303-76-2 |
|---|---|
| SMILES | CCOC(=O)C=C(C(F)(F)F)NC |
Product Overview
2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester (CAS 121303-76-2), with molecular formula C7H10F3NO2 and molecular weight 197.07 g/mol. IUPAC: ethyl 4,4,4-trifluoro-3-(methylamino)but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester
Property Insights of 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester
The XLogP value of 1.2151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, 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-3-(methylamino)-, ethyl ester 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 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester?
The CAS number of 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester is 121303-76-2.
What is the molecular formula of 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester?
The molecular formula of 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester is C7H10F3NO2.
What is the molecular weight of 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester?
The molecular weight of 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester is 197.07 g/mol.
Where can I buy 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester?
You can request a quote for 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, 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-3-(methylamino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.