CAS RN: 813458-04-7
Ethyl Nonafluorobutyl Ether (mixture of isomers)
- Product code: SSC-189837
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
813458-04-7 / 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
Basic Information
CAS
813458-04-7
Multi CAS
Yes
Molecular Formula
C6F9H5O
Molecular Weight
264.090000
Exact Mass
264.019668
InChI
InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
InChIKey
DFUYAWQUODQGFF-UHFFFAOYSA-N
Physical Properties
Physical Description
Clear colorless liquid; Low odor; [OSHA]
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
32.52
TPSA
9.23
LogP / Solubility
WLOGP
3.45
MLOGP
3.04
XLogP3
3.7
Consensus LogP
3.4
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 13846-22-5 1,1,2,2,3,3-Hexafluoro-1,3-bis[(1,2,2-trifluorovinyl)oxy]propane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/h1611-jpgcontextbwfzdgvyfhjvb3r8mjy3mzf8aw1hz2uvanblz3xonwuvagewlzg5mzewmzyznjq4mzavsde2mteuanbnfdc3nweznwrjmjazotdmyju4ywvlmjvkndgwy2fhztc0mgmyngq4mjgyoda1yzbinti2nwvlm2q2ndyzodu4ztc.jpeg)
