CAS RN: 1588480-39-0
(R)-1-Benzyl-2-Methylpiperazine 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.20260225 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1588480-39-0
- Purity/Analytical Methods: >99.0%
1588480-39-0 / (2R)-1-benzyl-2-methylpiperazine;hydrochloride
Basic Information
CAS
1588480-39-0
Multi CAS
No
Molecular Formula
C12H19ClN2
Molecular Weight
226.740000
Exact Mass
226.123676
SMILES
C[C@@H]1CNCCN1CC2=CC=CC=C2.Cl
InChI
InChI=1S/C12H18N2.ClH/c1-11-9-13-7-8-14(11)10-12-5-3-2-4-6-12;/h2-6,11,13H,7-10H2,1H3;1H/t11-;/m1./s1
InChIKey
ZWNGBJWPPPPFST-RFVHGSKJSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.43
TPSA
15.27
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.75
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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