CAS RN: 494771-76-5
2-(4-Acetylpiperazino)-5-bromopyridine
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.20250201 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS494771-76-5
- Purity/Analytical Methods: >99.0%
494771-76-5 / 1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanone
Basic Information
CAS
494771-76-5
Multi CAS
No
Molecular Formula
BC11H14ORn3
Molecular Weight
284.150000
Exact Mass
283.032020
InChI
InChI=1S/C11H14BrN3O/c1-9(16)14-4-6-15(7-5-14)11-3-2-10(12)8-13-11/h2-3,8H,4-7H2,1H3
InChIKey
QHIUYPWBDOIIAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.4
TPSA
36.44
LogP / Solubility
WLOGP
1.51
MLOGP
1.34
XLogP3
1.3
Consensus LogP
1.38
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
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)
-3.38
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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