CAS RN: 298705-59-6
1-(2-BROMOBENZYL)-PIPERAZINE
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.20260624 | 10g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS298705-59-6
- Purity/Analytical Methods: >99.0%
298705-59-6 / 1-[(2-bromophenyl)methyl]piperazine
Basic Information
CAS
298705-59-6
Multi CAS
Yes
Molecular Formula
BC11H15Rn2
Molecular Weight
255.150000
Exact Mass
254.041860
InChI
InChI=1S/C11H15BrN2/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKey
XVHSZKUVDNZYDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.29
TPSA
15.27
LogP / Solubility
WLOGP
1.85
MLOGP
1.64
XLogP3
1.8
Consensus LogP
1.76
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.96
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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