CAS RN: 914637-49-3
4,4,5,5,6,6,7,7,8,8,8-Undecafluorooctanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250319 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Guangdong, Hebei | Inquiry |
- Product code: starshine_CAS914637-49-3
- Purity/Analytical Methods: >99.0%
914637-49-3 / 4,4,5,5,6,6,7,7,8,8,8-undecafluorooctanoic acid
Basic Information
CAS
914637-49-3
Multi CAS
No
Molecular Formula
C8F11H5O2
Molecular Weight
342.110000
Exact Mass
342.011389
InChI
InChI=1S/C8H5F11O2/c9-4(10,2-1-3(20)21)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H2,(H,20,21)
InChIKey
ABFCFCPCGMHSRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.71
TPSA
37.3
LogP / Solubility
WLOGP
3.95
MLOGP
3.5
XLogP3
3.9
Consensus LogP
3.78
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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