CAS RN: 511292-99-2
(TERT-BUTYLIMIDO)TRIS(ETHYLMETHYLAMINO)TANTALUM
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS511292-99-2
- Purity/Analytical Methods: >99.0%
511292-99-2 / tert-butyliminotantalum;ethyl(methyl)azanide
Basic Information
CAS
511292-99-2
Multi CAS
Yes
Molecular Formula
C13H33N4TA-3
Molecular Weight
426.380000
Exact Mass
426.218520
InChI
InChI=1S/C4H9N.3C3H8N.Ta/c1-4(2,3)5;3*1-3-4-2;/h1-3H3;3*3H2,1-2H3;/q;3*-1;
InChIKey
WUOSVSDQERJZBI-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
4.03
XLogP3
4.54
Consensus LogP
4.37
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.09
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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