CAS RN: 51094-78-1
TANTALUM(V) BUTOXIDE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS51094-78-1
- Purity/Analytical Methods: >99.0%
51094-78-1 / pentakis(butan-1-olate);tantalum(5+)
Basic Information
CAS
51094-78-1
Multi CAS
Yes
Molecular Formula
C20H45O5Ta
Molecular Weight
546.500000
Exact Mass
546.274700
InChI
InChI=1S/5C4H9O.Ta/c5*1-2-3-4-5;/h5*2-4H2,1H3;/q5*-1;+5
InChIKey
QORWLRPWMJEJKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
5
Molar refractivity
98.88
TPSA
115.3
LogP / Solubility
WLOGP
0.73
MLOGP
0.69
XLogP3
0.73
Consensus LogP
0.72
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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