CAS RN: 63386-61-8
1-(2,6-dichlorophenyl)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.20251116 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS63386-61-8
- Purity/Analytical Methods: >99.0%
63386-61-8 / 1-(2,6-dichlorophenyl)piperazine
Basic Information
CAS
63386-61-8
Multi CAS
No
Molecular Formula
C10H12CL2N2
Molecular Weight
231.120000
Exact Mass
230.037754
InChI
InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(12)10(8)14-6-4-13-5-7-14/h1-3,13H,4-7H2
InChIKey
JIJMTXRHRBBARH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.54
TPSA
15.27
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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