CAS RN: 1811-57-0
1-Piperazineethanol,-bta-,4-dimethyl-(7CI,9CI)
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.20260107 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1811-57-0
- Purity/Analytical Methods: >99.0%
1811-57-0 / 2-(4-methylpiperazin-1-yl)propan-1-ol
Basic Information
CAS
1811-57-0
Multi CAS
No
Molecular Formula
C8H18N2O
Molecular Weight
158.240000
Exact Mass
158.141913
SMILES
CC(CO)N1CCN(CC1)C
InChI
InChI=1S/C8H18N2O/c1-8(7-11)10-5-3-9(2)4-6-10/h8,11H,3-7H2,1-2H3
InChIKey
NCRWIAUNUXORIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.62
TPSA
26.71
LogP / Solubility
WLOGP
-0.39
MLOGP
-0.34
XLogP3
-0.2
Consensus LogP
-0.31
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
