CAS RN: 494795-78-7
1-(2-(Piperidin-4-yl)phenyl)ethan-1-ol 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.20250619 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS494795-78-7
- Purity/Analytical Methods: >99.0%
494795-78-7 / 1-(2-piperidin-4-ylphenyl)ethanol;hydrochloride
Basic Information
CAS
494795-78-7
Multi CAS
No
Molecular Formula
C13H20CLNO
Molecular Weight
241.760000
Exact Mass
241.123342
InChI
InChI=1S/C13H19NO.ClH/c1-10(15)12-4-2-3-5-13(12)11-6-8-14-9-7-11;/h2-5,10-11,14-15H,6-9H2,1H3;1H
InChIKey
CPJGZLKGGFRVJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.17
TPSA
32.26
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.63
Consensus LogP
2.53
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.33
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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