CAS RN: 2140866-92-6
2-fluoro-4-(piperidin-4-yl)phenol hydrochloride
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.20250215 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2140866-92-6
- Purity/Analytical Methods: >99.0%
2140866-92-6 / 2-fluoro-4-piperidin-4-ylphenol;hydrochloride
Basic Information
CAS
2140866-92-6
Multi CAS
No
Molecular Formula
C11H15ClFNO
Molecular Weight
231.690000
Exact Mass
231.082620
SMILES
C1CNCCC1C2=CC(=C(C=C2)O)F.Cl
InChI
InChI=1S/C11H14FNO.ClH/c12-10-7-9(1-2-11(10)14)8-3-5-13-6-4-8;/h1-2,7-8,13-14H,3-6H2;1H
InChIKey
GNIFGKPMCSEILG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.16
TPSA
32.26
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2.42
Consensus LogP
2.32
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-2.42
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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