CAS RN: 439106-87-3
2-(1H-PYRAZOL-4-YL)QUINOLINE
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.20251205 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS439106-87-3
- Purity/Analytical Methods: >99.0%
439106-87-3 / 2-(1H-pyrazol-4-yl)quinoline
Basic Information
CAS
439106-87-3
Multi CAS
Yes
Molecular Formula
C12H9N3
Molecular Weight
195.220000
Exact Mass
195.079647
InChI
InChI=1S/C12H9N3/c1-2-4-11-9(3-1)5-6-12(15-11)10-7-13-14-8-10/h1-8H,(H,13,14)
InChIKey
AEABRQVZLJNLMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.32
TPSA
41.57
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.1
Consensus LogP
2.34
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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