CAS RN: 940895-79-4
Bis(N,N’-di-t-butylacetamidinato)nickel(II)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250506 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS940895-79-4
- Purity/Analytical Methods: >99.0%
940895-79-4 / bis(tert-butyl-(N-tert-butyl-C-methylcarbonimidoyl)azanide);nickel(2+)
Basic Information
CAS
940895-79-4
Multi CAS
Yes
Molecular Formula
C20H42IN5
Molecular Weight
397.300000
Exact Mass
396.276289
InChI
InChI=1S/2C10H21N2.Ni/c2*1-8(11-9(2,3)4)12-10(5,6)7;/h2*1-7H3;/q2*-1;+2
InChIKey
ZJLRHFANTKGIKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.9
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
111.95
TPSA
52.92
LogP / Solubility
WLOGP
6.75
MLOGP
5.96
XLogP3
6.75
Consensus LogP
6.49
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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