CAS RN: 312611-92-0
VK-28
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.20251114 | 1mg / 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS312611-92-0
- Purity/Analytical Methods: >99.0%
312611-92-0 / 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol
Basic Information
CAS
312611-92-0
Multi CAS
No
Molecular Formula
C16H21N3O2
Molecular Weight
287.360000
Exact Mass
287.163377
InChI
InChI=1S/C16H21N3O2/c20-11-10-18-6-8-19(9-7-18)12-13-3-4-15(21)16-14(13)2-1-5-17-16/h1-5,20-21H,6-12H2
InChIKey
XIXFNVDWEWCEOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
82.21
TPSA
59.83
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
1
Consensus LogP
0.99
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73
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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