CAS RN: 58260-69-8
1-(2-HYDROXYPHENYL)PIPERAZINE DIHYDROBROMIDE
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.20251025 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS58260-69-8
- Purity/Analytical Methods: >99.0%
58260-69-8 / 2-piperazin-1-ylphenol;dihydrobromide
Basic Information
CAS
58260-69-8
Multi CAS
Yes
Molecular Formula
C10H16BR2N2O
Molecular Weight
340.050000
Exact Mass
339.960890
InChI
InChI=1S/C10H14N2O.2BrH/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H
InChIKey
YWZWSACJABVWJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.83
TPSA
35.5
LogP / Solubility
WLOGP
1.96
MLOGP
1.74
XLogP3
1.96
Consensus LogP
1.89
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-3.4
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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