Methyl 4,4,4-trifluorocrotonate
TL;DR: Methyl 4,4,4-trifluorocrotonate (CAS 70577-95-6) is a chemical compound with molecular formula C5H5F3O2 and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4,4,4-trifluorobut-2-enoate
Also Known As: Methyl 4,4,4-trifluorocrotonate, Methyl4,4,4-trifluorocrotonate, HedDpNDIAICICHiBeMULtBB`, methyl (E)-4,4,4-trifluorobut-2-enoate, Methyl 4,4,4-trifluorocrotonat
| Molecular Formula | C5H5F3O2 |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 1.2779 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.02417 |
| Heavy Atoms | 10 |
| Complexity | 147.46228 |
Chemical Identifiers
| CAS Number | 70577-95-6 |
|---|---|
| SMILES | COC(=O)/C=C/C(F)(F)F |
Product Overview
Methyl 4,4,4-trifluorocrotonate (CAS 70577-95-6), with molecular formula C5H5F3O2 and molecular weight 154.02 g/mol. IUPAC: methyl (E)-4,4,4-trifluorobut-2-enoate.
Chemical Property Profile of Methyl 4,4,4-trifluorocrotonate
Property Insights of Methyl 4,4,4-trifluorocrotonate
The XLogP value of 1.2779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,4,4-trifluorocrotonate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4,4,4-trifluorocrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,4,4-trifluorocrotonate 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 Methyl 4,4,4-trifluorocrotonate?
The CAS number of Methyl 4,4,4-trifluorocrotonate is 70577-95-6.
What is the molecular formula of Methyl 4,4,4-trifluorocrotonate?
The molecular formula of Methyl 4,4,4-trifluorocrotonate is C5H5F3O2.
What is the molecular weight of Methyl 4,4,4-trifluorocrotonate?
The molecular weight of Methyl 4,4,4-trifluorocrotonate is 154.02 g/mol.
Where can I buy Methyl 4,4,4-trifluorocrotonate?
You can request a quote for Methyl 4,4,4-trifluorocrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,4,4-trifluorocrotonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,4,4-trifluorocrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.