CAS RN: 1289386-05-5
2-Methyl-1-(4-Methyl-benzyl)-piperazine hydrochloride
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.20250605 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1289386-05-5
- Purity/Analytical Methods: >99.0%
1289386-05-5 / 2-methyl-1-[(4-methylphenyl)methyl]piperazine;hydrochloride
Basic Information
CAS
1289386-05-5
Multi CAS
No
Molecular Formula
C13H21ClN2
Molecular Weight
240.770000
Exact Mass
240.139326
SMILES
CC1CNCCN1CC2=CC=C(C=C2)C.Cl
InChI
InChI=1S/C13H20N2.ClH/c1-11-3-5-13(6-4-11)10-15-8-7-14-9-12(15)2;/h3-6,12,14H,7-10H2,1-2H3;1H
InChIKey
WVYWEAIYQYHCGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.17
TPSA
15.27
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.21
Consensus LogP
2.12
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.62
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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