CAS RN: 56227-56-6
2-(4-Benzoyl-1-piperazinyl)ethanol
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.20251107 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS56227-56-6
- Purity/Analytical Methods: >99.0%
56227-56-6 / [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone
Basic Information
CAS
56227-56-6
Multi CAS
No
Molecular Formula
C13H18N2O2
Molecular Weight
234.290000
Exact Mass
234.136828
InChI
InChI=1S/C13H18N2O2/c16-11-10-14-6-8-15(9-7-14)13(17)12-4-2-1-3-5-12/h1-5,16H,6-11H2
InChIKey
DBMBIBSNWGXLHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.87
TPSA
43.78
LogP / Solubility
WLOGP
0.44
MLOGP
0.39
XLogP3
-0.3
Consensus LogP
0.18
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-3.84
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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