Heptafluorobutyric acid, 4-methoxyphenyl ester
TL;DR: Heptafluorobutyric acid, 4-methoxyphenyl ester (CAS 80527-45-3) is a chemical compound with molecular formula C11H7F7O3 and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: 4-Methoxyphenol heptafluorobutyrate, 4-methoxyphenyl heptafluorobutanoate, 4-Methoxyphenol, heptafluorobutyrate, Heptafluorobutyric acid, 4-methoxyphenyl ester, (4-methoxyphenyl) 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C11H7F7O3 |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.02835 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 80527-45-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | MAXXAEQHDYJTRK-UHFFFAOYSA-N |
Product Overview
Heptafluorobutyric acid, 4-methoxyphenyl ester (CAS 80527-45-3), with molecular formula C11H7F7O3 and molecular weight 320.03 g/mol. IUPAC: (4-methoxyphenyl) 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Heptafluorobutyric acid, 4-methoxyphenyl ester
Property Insights of Heptafluorobutyric acid, 4-methoxyphenyl ester
The XLogP value of 4.1 indicates that Heptafluorobutyric acid, 4-methoxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Heptafluorobutyric acid, 4-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluorobutyric acid, 4-methoxyphenyl ester 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 Heptafluorobutyric acid, 4-methoxyphenyl ester?
The CAS number of Heptafluorobutyric acid, 4-methoxyphenyl ester is 80527-45-3.
What is the molecular formula of Heptafluorobutyric acid, 4-methoxyphenyl ester?
The molecular formula of Heptafluorobutyric acid, 4-methoxyphenyl ester is C11H7F7O3.
What is the molecular weight of Heptafluorobutyric acid, 4-methoxyphenyl ester?
The molecular weight of Heptafluorobutyric acid, 4-methoxyphenyl ester is 320.03 g/mol.
Where can I buy Heptafluorobutyric acid, 4-methoxyphenyl ester?
You can request a quote for Heptafluorobutyric acid, 4-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptafluorobutyric acid, 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptafluorobutyric acid, 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.