CAS RN: 474396-94-6
1-Benzyl-4-(2-Hydroxyphenyl)Piperidin-4-Ol
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.20251223 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS474396-94-6
- Purity/Analytical Methods: >99.0%
474396-94-6 / 1-benzyl-4-(2-hydroxyphenyl)piperidin-4-ol
Basic Information
CAS
474396-94-6
Multi CAS
No
Molecular Formula
C18H21NO2
Molecular Weight
283.400000
Exact Mass
283.157229
InChI
InChI=1S/C18H21NO2/c20-17-9-5-4-8-16(17)18(21)10-12-19(13-11-18)14-15-6-2-1-3-7-15/h1-9,20-21H,10-14H2
InChIKey
YYEPYDZORNOKCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.96
TPSA
43.7
LogP / Solubility
WLOGP
2.88
MLOGP
2.54
XLogP3
2.6
Consensus LogP
2.67
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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