CAS RN: 149715-45-7
(S)-4-benzyl-2-hydroxymethylpiperazine
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.20260304 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS149715-45-7
- Purity/Analytical Methods: >99.0%
149715-45-7 / [(2S)-4-benzylpiperazin-2-yl]methanol
Basic Information
CAS
149715-45-7
Multi CAS
No
Molecular Formula
C12H18N2O
Molecular Weight
206.280000
Exact Mass
206.141913
SMILES
C1CN(C[C@H](N1)CO)CC2=CC=CC=C2
InChI
InChI=1S/C12H18N2O/c15-10-12-9-14(7-6-13-12)8-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2/t12-/m0/s1
InChIKey
PJMFGDYBTJEEDP-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.6
TPSA
35.5
LogP / Solubility
WLOGP
0.45
MLOGP
0.4
XLogP3
0.5
Consensus LogP
0.45
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.66
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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