CAS RN: 685892-16-4
2-FLUOROPHENYLSULFONYLETHANOL
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.20251016 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS685892-16-4
- Purity/Analytical Methods: >99.0%
685892-16-4 / 2-(2-fluorophenyl)sulfonylethanol
Basic Information
CAS
685892-16-4
Multi CAS
No
Molecular Formula
C8FH9O3S
Molecular Weight
204.220000
Exact Mass
204.025643
InChI
InChI=1S/C8H9FO3S/c9-7-3-1-2-4-8(7)13(11,12)6-5-10/h1-4,10H,5-6H2
InChIKey
NFIZNZVTQMGWST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.54
TPSA
54.37
LogP / Solubility
WLOGP
0.59
MLOGP
0.52
XLogP3
0.8
Consensus LogP
0.64
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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