CAS RN: 35733-23-4
ERBIUM TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE)
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS35733-23-4
- Purity/Analytical Methods: >99.0%
35733-23-4 / erbium(3+);tris(2,2,6,6-tetramethylheptane-3,5-dione)
Basic Information
CAS
35733-23-4
Multi CAS
Yes
Molecular Formula
C33ErH57O6
Molecular Weight
717.100000
Exact Mass
715.345816
InChI
InChI=1S/3C11H20O2.Er/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7H2,1-6H3;
InChIKey
DVVZFKBUKVTGJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.73
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
159.67
TPSA
102.42
LogP / Solubility
WLOGP
7.26
MLOGP
6.45
XLogP3
7.26
Consensus LogP
6.99
Log S (ESOL)
-8.47
Class (ESOL)
Insoluble
Log S (Ali)
-10.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 35740-18-2 9-[(3,3-Dimethyl-2-oxiranyl)methoxy]-7H-furo[3,2-g][1]benzopyran-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35740-18-2.gif)
