CAS RN: 65709-32-2

Piperazine, 2-(4-methylphenyl)-, hydrochloride (1:2)

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Batchno.20251027 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS65709-32-2
  • 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

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