CAS RN: 126872-94-4
(S)-2-HYDROXYMETHYL-PIPERAZINE
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.20250110 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS126872-94-4
- Purity/Analytical Methods: >99.0%
126872-94-4 / [(2S)-piperazin-2-yl]methanol
Basic Information
CAS
126872-94-4
Multi CAS
No
Molecular Formula
C5H12N2O
Molecular Weight
116.160000
Exact Mass
116.094963
SMILES
C1CN[C@@H](CN1)CO
InChI
InChI=1S/C5H12N2O/c8-4-5-3-6-1-2-7-5/h5-8H,1-4H2/t5-/m0/s1
InChIKey
SIRSTRHGFGFVME-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
31.75
TPSA
44.29
LogP / Solubility
WLOGP
-1.46
MLOGP
-1.29
XLogP3
-1.5
Consensus LogP
-1.42
Log S (ESOL)
0.43
Class (ESOL)
Highly soluble
Log S (Ali)
0.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.68
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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