CAS RN: 864150-47-0
(t-Butylimido)tris(methylethylamino)niobium
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.20250626 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS864150-47-0
- Purity/Analytical Methods: >99.0%
864150-47-0 / tert-butyliminoniobium;ethyl(methyl)azanide
Basic Information
CAS
864150-47-0
Multi CAS
Yes
Molecular Formula
C13H33N4NB-3
Molecular Weight
338.330000
Exact Mass
338.176900
InChI
InChI=1S/C4H9N.3C3H8N.Nb/c1-4(2,3)5;3*1-3-4-2;/h1-3H3;3*3H2,1-2H3;/q;3*-1;
InChIKey
NLHYOFPQCYXYMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
81.65
TPSA
54.66
LogP / Solubility
WLOGP
4.54
MLOGP
4.02
XLogP3
4.54
Consensus LogP
4.37
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly 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)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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