CAS RN: 22411-22-9
HAFNIUM N-BUTOXIDE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS22411-22-9
- Purity/Analytical Methods: >99.0%
22411-22-9 / tetrakis(butan-1-ol);hafnium
Basic Information
CAS
22411-22-9
Multi CAS
No
Molecular Formula
C16H40HfO4
Molecular Weight
475.000000
Exact Mass
476.239220
SMILES
CCCCO.CCCCO.CCCCO.CCCCO.[Hf]
InChI
InChI=1S/4C4H10O.Hf/c4*1-2-3-4-5;/h4*5H,2-4H2,1H3;
InChIKey
CKEGKURXFKLBDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
87.98
TPSA
80.92
LogP / Solubility
WLOGP
3.11
MLOGP
2.77
XLogP3
3.11
Consensus LogP
3
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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