CAS RN: 1082928-80-0
1-(4-fluorophenylsulfonyl)piperidin-4-ol, 98+% C11H14FNO3S, MW: 259.30
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.20260114 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1082928-80-0
- Purity/Analytical Methods: >99.0%
1082928-80-0 / 1-(4-fluorophenyl)sulfonylpiperidin-4-ol
1-(4-fluorophenylsulfonyl)piperidin-4-ol | 1-((4-Fluorophenyl)sulfonyl)piperidin-4-ol | 1-(4-fluorophenyl)sulfonylpiperidin-4-ol
Basic Information
CAS
1082928-80-0
Multi CAS
No
Molecular Formula
C11H14FNO3S
Molecular Weight
259.300000
Exact Mass
259.067843
SMILES
C1CN(CCC1O)S(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H14FNO3S/c12-9-1-3-11(4-2-9)17(15,16)13-7-5-10(14)6-8-13/h1-4,10,14H,5-8H2
InChIKey
YCVKLILJLWKQBE-UHFFFAOYSA-N
Synonyms
1-(4-fluorophenylsulfonyl)piperidin-4-ol
1-((4-Fluorophenyl)sulfonyl)piperidin-4-ol
1-(4-fluorophenyl)sulfonylpiperidin-4-ol
1-[(4-fluorophenyl)sulfonyl]piperidin-4-ol
DTXSID90651308
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.4
TPSA
57.61
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
1
Consensus LogP
0.94
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.61
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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