2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
TL;DR: 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester (CAS 424-64-6) is a chemical compound with molecular formula C7H5F7O2 and molecular weight 254.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,4-heptafluorobutyl prop-2-enoate
Also Known As: 1H,1H-Heptafluorobutyl acrylate, 2,2,3,3,4,4,4-Heptafluorobutyl acrylate, 1h,1h-heptafluorobutylacrylate, Heptafluorobutyl acrylate, HFBA
| Molecular Formula | C7H5F7O2 |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.01778 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 424-64-6 |
|---|---|
| SMILES | C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | PLXOUIVCSUBZIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester (CAS 424-64-6), with molecular formula C7H5F7O2 and molecular weight 254.02 g/mol. IUPAC: 2,2,3,3,4,4,4-heptafluorobutyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Property Insights of 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
The XLogP value of 3.2 indicates that 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester has 0 hydrogen bond donor(s) and 9 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 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
The CAS number of 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is 424-64-6.
What is the molecular formula of 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
The molecular formula of 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is C7H5F7O2.
What is the molecular weight of 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
The molecular weight of 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is 254.02 g/mol.
Where can I buy 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
You can request a quote for 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.