CAS RN: 685892-15-3
2-FLUOROPHENYLTHIOETHANOL
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.20251123 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS685892-15-3
- Purity/Analytical Methods: >99.0%
685892-15-3 / 2-(2-fluorophenyl)sulfanylethanol
Basic Information
CAS
685892-15-3
Multi CAS
No
Molecular Formula
C8FH9OS
Molecular Weight
172.220000
Exact Mass
172.035814
InChI
InChI=1S/C8H9FOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2
InChIKey
RRDIRFYMPUIMAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.21
TPSA
20.23
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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