Allyl heptafluorobutyrate
TL;DR: Allyl heptafluorobutyrate (CAS 17165-55-8) 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.
Allyl heptafluorobutyrate
ethenyl 3,3,4,4,5,5,5-heptafluoropentanoate
Also Known As: Allyl heptafluorobutyrate, ethenyl 3,3,4,4,5,5,5-heptafluoropentanoate, EINECS 241-220-9
| Molecular Formula | C7H5F7O2 |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | 3.0 |
| 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 | 17165-55-8 |
|---|---|
| SMILES | C=COC(=O)CC(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | JPAQRQFVIPWHNE-UHFFFAOYSA-N |
Product Overview
Allyl heptafluorobutyrate (CAS 17165-55-8), with molecular formula C7H5F7O2 and molecular weight 254.02 g/mol. IUPAC: ethenyl 3,3,4,4,5,5,5-heptafluoropentanoate.
Chemical Property Profile of Allyl heptafluorobutyrate
Property Insights of Allyl heptafluorobutyrate
The XLogP value of 3.0 indicates that Allyl heptafluorobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl heptafluorobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl heptafluorobutyrate 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 Allyl heptafluorobutyrate?
The CAS number of Allyl heptafluorobutyrate is 17165-55-8.
What is the molecular formula of Allyl heptafluorobutyrate?
The molecular formula of Allyl heptafluorobutyrate is C7H5F7O2.
What is the molecular weight of Allyl heptafluorobutyrate?
The molecular weight of Allyl heptafluorobutyrate is 254.02 g/mol.
Where can I buy Allyl heptafluorobutyrate?
You can request a quote for Allyl heptafluorobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl heptafluorobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Allyl heptafluorobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.