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CAS 28122-13-6 4-FLUOROPHENYLSULFONYLETHANOL molecular structure lightbox
CAS RN: 28122-13-6

4-FLUOROPHENYLSULFONYLETHANOL

  • Product code: SSC-128821
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 28122-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

28122-13-6 / 2-(4-fluorophenyl)sulfonylethanol

Standard CAS: 28122-13-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28122-13-6
Multi CAS
No
Molecular Formula
C8H9FO3S
Molecular Weight
204.220000
Exact Mass
204.025643
InChI
InChI=1S/C8H9FO3S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4,10H,5-6H2
InChIKey
BUQOMEFZYUQRIV-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
0.7
Consensus LogP
0.6
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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