1-Butene-1,4-diol di(trifluoroacetate)
TL;DR: 1-Butene-1,4-diol di(trifluoroacetate) (CAS 54965-25-2) is a chemical compound with molecular formula C8H6F6O4 and molecular weight 280.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2,2-trifluoroacetyl)oxybut-3-enyl 2,2,2-trifluoroacetate
Also Known As: 1-Butene-1,4-diol di(trifluoroacetate)
| Molecular Formula | C8H6F6O4 |
|---|---|
| Molecular Weight | 280.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.01703 |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 54965-25-2 |
|---|---|
| SMILES | C(COC(=O)C(F)(F)F)C=COC(=O)C(F)(F)F |
| InChIKey | MRCAYHNGAXBUOF-UHFFFAOYSA-N |
Product Overview
1-Butene-1,4-diol di(trifluoroacetate) (CAS 54965-25-2), with molecular formula C8H6F6O4 and molecular weight 280.02 g/mol. IUPAC: 4-(2,2,2-trifluoroacetyl)oxybut-3-enyl 2,2,2-trifluoroacetate.
Chemical Property Profile of 1-Butene-1,4-diol di(trifluoroacetate)
Property Insights of 1-Butene-1,4-diol di(trifluoroacetate)
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butene-1,4-diol di(trifluoroacetate). With a topological polar surface area (TPSA) of 52.6 Ų, 1-Butene-1,4-diol di(trifluoroacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butene-1,4-diol di(trifluoroacetate) has 0 hydrogen bond donor(s) and 10 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 1-Butene-1,4-diol di(trifluoroacetate)?
The CAS number of 1-Butene-1,4-diol di(trifluoroacetate) is 54965-25-2.
What is the molecular formula of 1-Butene-1,4-diol di(trifluoroacetate)?
The molecular formula of 1-Butene-1,4-diol di(trifluoroacetate) is C8H6F6O4.
What is the molecular weight of 1-Butene-1,4-diol di(trifluoroacetate)?
The molecular weight of 1-Butene-1,4-diol di(trifluoroacetate) is 280.02 g/mol.
Where can I buy 1-Butene-1,4-diol di(trifluoroacetate)?
You can request a quote for 1-Butene-1,4-diol di(trifluoroacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butene-1,4-diol di(trifluoroacetate)?
Yes, KEHONG BIO provides custom synthesis services for 1-Butene-1,4-diol di(trifluoroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.