CAS RN: 886496-10-2
2,2,3,3,3-PENTAFLUORO-1-PHENYL-1-PYRIDIN-2-YL-ETHANOL
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250323 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS886496-10-2
- Purity/Analytical Methods: >99.0%
886496-10-2 / 2,2,3,3,3-pentafluoro-1-phenyl-1-pyridin-2-ylpropan-1-ol
Basic Information
CAS
886496-10-2
Multi CAS
No
Molecular Formula
C14F5H10NO
Molecular Weight
303.230000
Exact Mass
303.068255
InChI
InChI=1S/C14H10F5NO/c15-13(16,14(17,18)19)12(21,10-6-2-1-3-7-10)11-8-4-5-9-20-11/h1-9,21H
InChIKey
YUZVIEPNEMEPOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.68
TPSA
33.12
LogP / Solubility
WLOGP
3.52
MLOGP
3.11
XLogP3
3.3
Consensus LogP
3.31
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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