CAS RN: 1032825-01-6
2-Fluoro-4-(4-methylsulfonylphenyl)phenol
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.20250927 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1032825-01-6
- Purity/Analytical Methods: >99.0%
1032825-01-6 / 2-fluoro-4-(4-methylsulfonylphenyl)phenol
3-Fluoro-4'-(methylsulfonyl)-[1,1'-biphenyl]-4-ol | 2-FLUORO-4-(4-METHYLSULFONYLPHENYL)PHENOL | C13H11FO3S
Basic Information
CAS
1032825-01-6
Multi CAS
No
Molecular Formula
C13H11FO3S
Molecular Weight
266.290000
Exact Mass
266.041294
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)O)F
InChI
InChI=1S/C13H11FO3S/c1-18(16,17)11-5-2-9(3-6-11)10-4-7-13(15)12(14)8-10/h2-8,15H,1H3
InChIKey
HDVYXZFEAKBBBP-UHFFFAOYSA-N
Synonyms
3-Fluoro-4'-(methylsulfonyl)-[1,1'-biphenyl]-4-ol
2-FLUORO-4-(4-METHYLSULFONYLPHENYL)PHENOL
C13H11FO3S
MFCD18313997
SCHEMBL386673
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.61
TPSA
54.37
LogP / Solubility
WLOGP
2.6
MLOGP
2.3
XLogP3
2.5
Consensus LogP
2.47
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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