CAS RN: 65709-32-2
Piperazine, 2-(4-methylphenyl)-, hydrochloride (1:2)
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20251027 |
250mg / 1g / 5g |
Out of stock |
8-10 business days | Inquiry |
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Product code:
starshine_CAS65709-32-2
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Purity/Analytical Methods:
>99.0%
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65709-32-2 / 2-(4-methylphenyl)piperazine;hydrochloride
Standard CAS: 65709-32-2
Multi CAS: Yes
Basic Information
CAS
65709-32-2
Multi CAS
Yes
Molecular Formula
C11H17CLN2
Molecular Weight
212.720000
Exact Mass
212.108026
InChI
InChI=1S/C11H16N2.2ClH/c1-9-2-4-10(5-3-9)11-8-12-6-7-13-11;;/h2-5,11-13H,6-8H2,1H3;2*1H
InChIKey
HHRIJMVJTZDXBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.04
TPSA
24.06
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
1.65
Consensus LogP
1.58
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2