CAS RN: 660862-48-6
(S)-di-tert-Butyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
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.20250305 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS660862-48-6
- Purity/Analytical Methods: >99.0%
660862-48-6 / ditert-butyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
Basic Information
CAS
660862-48-6
Multi CAS
Yes
Molecular Formula
C16H30N2O5
Molecular Weight
330.420000
Exact Mass
330.215472
InChI
InChI=1S/C16H30N2O5/c1-15(2,3)22-13(20)17-8-9-18(12(11-17)7-10-19)14(21)23-16(4,5)6/h12,19H,7-11H2,1-6H3/t12-/m0/s1
InChIKey
VUZKEHBQEOADAS-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
86.24
TPSA
79.31
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
1.5
Consensus LogP
1.9
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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