CAS RN: 812-72-6
ALLYL 1H,1H-PERFLUOROOCTYL ETHER
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250317 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS812-72-6
- Purity/Analytical Methods: >99.0%
812-72-6 / 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-prop-2-enoxyoctane
Basic Information
CAS
812-72-6
Multi CAS
No
Molecular Formula
C11F15H7O
Molecular Weight
440.150000
Exact Mass
440.025737
InChI
InChI=1S/C11H7F15O/c1-2-3-27-4-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3-4H2
InChIKey
DPOFHGRLDJWXKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.82
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
56.75
TPSA
9.23
LogP / Solubility
WLOGP
5.56
MLOGP
4.92
XLogP3
5.9
Consensus LogP
5.46
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS812-87-3
- Purity/Analytical method: >99.0%
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