CAS RN: 656257-43-1
1-(4-BroMophenyl)-4-ethylpiperazine
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.20250307 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS656257-43-1
- Purity/Analytical Methods: >99.0%
656257-43-1 / 1-(4-bromophenyl)-4-ethylpiperazine
Basic Information
CAS
656257-43-1
Multi CAS
No
Molecular Formula
BC12H17Rn2
Molecular Weight
269.180000
Exact Mass
268.057510
InChI
InChI=1S/C12H17BrN2/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10H2,1H3
InChIKey
CLEVZBPYLTYZHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
68.47
TPSA
6.48
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-2.52
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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