CAS RN: 124782-95-2
6-BROMO-2-PIPERAZIN-1-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.20250619 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS124782-95-2
- Purity/Analytical Methods: >99.0%
124782-95-2 / 6-bromo-2-piperazin-1-ylquinoline
Basic Information
CAS
124782-95-2
Multi CAS
No
Molecular Formula
C13H14BrN3
Molecular Weight
292.170000
Exact Mass
291.037110
SMILES
C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)Br
InChI
InChI=1S/C13H14BrN3/c14-11-2-3-12-10(9-11)1-4-13(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKey
MKIHFWMBAKJYJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.53
TPSA
28.16
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
2.7
Consensus LogP
2.41
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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