Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester
TL;DR: Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester (CAS 55649-46-2) 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.
(4-butoxy-4-oxobutyl) 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: (4-Butoxy-4-oxobutyl) perfluorobutanoate, Heptafluorobutyricacid4-butoxy-4-oxobutylester, Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester, Heptafluorobutyric acid 4-butoxy-4-oxobutyl ester, 4-Butoxy-4-oxobutyl 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C12H15F7O4 |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 356.08585 |
| Heavy Atoms | 23 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 55649-46-2 |
|---|---|
| SMILES | CCCCOC(=O)CCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | GPLYXKUGAXCCSW-UHFFFAOYSA-N |
Product Overview
Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester (CAS 55649-46-2), with molecular formula C12H15F7O4 and molecular weight 356.09 g/mol. IUPAC: (4-butoxy-4-oxobutyl) 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester
Property Insights of Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester
The XLogP value of 4.0 indicates that Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester 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 Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester?
The CAS number of Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester is 55649-46-2.
What is the molecular formula of Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester?
The molecular formula of Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester is C12H15F7O4.
What is the molecular weight of Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester?
The molecular weight of Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester is 356.09 g/mol.
Where can I buy Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester?
You can request a quote for Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.