Methyl 4,4,4-trifluorobutanoate
TL;DR: Methyl 4,4,4-trifluorobutanoate (CAS 2365-82-4) is a chemical compound with molecular formula C5H7F3O2 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4,4-trifluorobutanoate
Also Known As: Methyl 4,4,4-trifluorobutyrate, Methyl 4,4,4-trifluorobutanoate, Methyl4,4,4-trifluorobutyrate, Methyl 4,4,4-trifluorobutyrat, Methyl4,4,4-trifluorobutanoate
| Molecular Formula | C5H7F3O2 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 1.5019 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.03981 |
| Heavy Atoms | 10 |
| Complexity | 118.5517 |
Chemical Identifiers
| CAS Number | 2365-82-4 |
|---|---|
| SMILES | COC(=O)CCC(F)(F)F |
Product Overview
Methyl 4,4,4-trifluorobutanoate (CAS 2365-82-4), with molecular formula C5H7F3O2 and molecular weight 156.04 g/mol. IUPAC: methyl 4,4,4-trifluorobutanoate.
Chemical Property Profile of Methyl 4,4,4-trifluorobutanoate
Property Insights of Methyl 4,4,4-trifluorobutanoate
The XLogP value of 1.5019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,4,4-trifluorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4,4,4-trifluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,4,4-trifluorobutanoate 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-trifluorobutanoate?
The CAS number of Methyl 4,4,4-trifluorobutanoate is 2365-82-4.
What is the molecular formula of Methyl 4,4,4-trifluorobutanoate?
The molecular formula of Methyl 4,4,4-trifluorobutanoate is C5H7F3O2.
What is the molecular weight of Methyl 4,4,4-trifluorobutanoate?
The molecular weight of Methyl 4,4,4-trifluorobutanoate is 156.04 g/mol.
Where can I buy Methyl 4,4,4-trifluorobutanoate?
You can request a quote for Methyl 4,4,4-trifluorobutanoate 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-trifluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,4,4-trifluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.