CAS RN: 923956-62-1
Bis(t-butylimido)bis(dimethylamino)molybdenum(VI)
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS923956-62-1
- Purity/Analytical Methods: >99.0%
923956-62-1 / Bis(t-butylimido)bis(dimethylamino)molybdenum(VI)
Basic Information
CAS
923956-62-1
Multi CAS
Yes
Molecular Formula
C12H30MoN4
Molecular Weight
326.340000
Exact Mass
328.152451
InChI
InChI=1S/2C4H9N.2C2H6N.Mo/c2*1-4(2,3)5;2*1-3-2;/h2*1-3H3;2*1-2H3;/q;;2*-1;+2
InChIKey
KUMGWCYRXZGGGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
74.19
TPSA
72.8
LogP / Solubility
WLOGP
2.94
MLOGP
2.61
XLogP3
2.94
Consensus LogP
2.83
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly 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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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