CAS RN: 959417-67-5
1,4-di-tert-butyl 2-methylpiperazine-1,4-dicarboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250509 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS959417-67-5
- Purity/Analytical Methods: >99.0%
959417-67-5 / ditert-butyl 2-methylpiperazine-1,4-dicarboxylate
Basic Information
CAS
959417-67-5
Multi CAS
No
Molecular Formula
C15H28N2O4
Molecular Weight
300.390000
Exact Mass
300.204907
InChI
InChI=1S/C15H28N2O4/c1-11-10-16(12(18)20-14(2,3)4)8-9-17(11)13(19)21-15(5,6)7/h11H,8-10H2,1-7H3
InChIKey
IMKNVNIIMKCRIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
80.21
TPSA
59.08
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
2.2
Consensus LogP
2.53
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
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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