CAS RN: 1404048-45-8
2-Piperazinemethanol, 5-methyl-, (2R,5R)-
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.20250404 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1404048-45-8
- Purity/Analytical Methods: >99.0%
1404048-45-8 / [(2R,5R)-5-methylpiperazin-2-yl]methanol
Basic Information
CAS
1404048-45-8
Multi CAS
No
Molecular Formula
C6H14N2O
Molecular Weight
130.190000
Exact Mass
130.110613
SMILES
C[C@@H]1CN[C@H](CN1)CO
InChI
InChI=1S/C6H14N2O/c1-5-2-8-6(4-9)3-7-5/h5-9H,2-4H2,1H3/t5-,6-/m1/s1
InChIKey
ZAJCWYDHBKNPSQ-PHDIDXHHSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.34
TPSA
44.29
LogP / Solubility
WLOGP
-1.07
MLOGP
-0.95
XLogP3
-1
Consensus LogP
-1.01
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.15
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.26
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)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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