CAS RN: 34451-26-8
1H,1H,2H,2H-PERFLUOROOCTANETHIOL
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS34451-26-8
- Purity/Analytical Methods: >99.0%
34451-26-8 / 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-thiol
Basic Information
CAS
34451-26-8
Multi CAS
No
Molecular Formula
C8F13H5S
Molecular Weight
380.170000
Exact Mass
379.990437
InChI
InChI=1S/C8H5F13S/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
InChIKey
GTPHVVCYEWPQFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.26
TPSA
1.0000
LogP / Solubility
WLOGP
5.05
MLOGP
4.46
XLogP3
5.3
Consensus LogP
4.94
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
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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