CAS RN: 924964-23-8
DI-TERT-BUTYL 2-CYANOPIPERAZINE-1,4-DICARBOXYLATE
- Product code: SSC-206176
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
924964-23-8 / ditert-butyl 2-cyanopiperazine-1,4-dicarboxylate
Basic Information
CAS
924964-23-8
Multi CAS
No
Molecular Formula
C15H25N3O4
Molecular Weight
311.380000
Exact Mass
311.184506
InChI
InChI=1S/C15H25N3O4/c1-14(2,3)21-12(19)17-7-8-18(11(9-16)10-17)13(20)22-15(4,5)6/h11H,7-8,10H2,1-6H3
InChIKey
KSXCMLBJAMFZEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
80.15
TPSA
82.87
LogP / Solubility
WLOGP
2.37
MLOGP
2.1
XLogP3
1.6
Consensus LogP
2.02
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
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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