(1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate
TL;DR: (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate (CAS 55649-48-4) is a chemical compound with molecular formula C12H15F7O4 and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Heptafluorobutyricacid1- propylester, 1-Butoxy-1-Oxo-2-Butanyl Heptafluorobutanoate, (1-butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate, 1-Butoxy-1-oxobutan-2-yl heptafluorobutanoate, Butanoic acid, heptafluoro-, 1-(butoxycarbonyl)propyl ester
| Molecular Formula | C12H15F7O4 |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 356.08585 |
| Heavy Atoms | 23 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 55649-48-4 |
|---|---|
| SMILES | CCCCOC(=O)C(CC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | UJDXPIGCZXMOOD-UHFFFAOYSA-N |
Product Overview
(1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate (CAS 55649-48-4), with molecular formula C12H15F7O4 and molecular weight 356.09 g/mol. IUPAC: (1-butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate
Property Insights of (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate
The XLogP value of 4.7 indicates that (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate?
The CAS number of (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate is 55649-48-4.
What is the molecular formula of (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate?
The molecular formula of (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate is C12H15F7O4.
What is the molecular weight of (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate?
The molecular weight of (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate is 356.09 g/mol.
Where can I buy (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate?
You can request a quote for (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Butoxy-1-oxobutan-2-yl) 2,2,3,3,4,4,4-heptafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.