CAS RN: 746589-13-9
3-(3-Hydroxy-piperidin-1-yl)-1-phenyl-propan-1-one, 98+% C14H19NO2, MW: 233.31
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.20251001 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS746589-13-9
- Purity/Analytical Methods: >99.0%
746589-13-9 / 3-(3-hydroxypiperidin-1-yl)-1-phenylpropan-1-one
Basic Information
CAS
746589-13-9
Multi CAS
No
Molecular Formula
C14H19NO2
Molecular Weight
233.310000
Exact Mass
233.141579
InChI
InChI=1S/C14H19NO2/c16-13-7-4-9-15(11-13)10-8-14(17)12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChIKey
VZBUWWZRBXHVJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.07
TPSA
40.54
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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