CAS RN: 14284-87-8
GADOLINIUM (III) ACETYLACETONATE HYDRATE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS14284-87-8
- Purity/Analytical Methods: >99.0%
14284-87-8 / gadolinium(3+);tris(4-oxopent-2-en-2-olate)
Basic Information
CAS
14284-87-8
Multi CAS
No
Molecular Formula
C15H21GdO6
Molecular Weight
454.570000
Exact Mass
455.057920
SMILES
CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Gd+3]
InChI
InChI=1S/3C5H8O2.Gd/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
InChIKey
IQGAADOKZGEEQE-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
73.31
TPSA
120.39
LogP / Solubility
WLOGP
-0.48
MLOGP
-0.39
XLogP3
-0.48
Consensus LogP
-0.45
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble
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
No
Log Kp (skin permeation)
-5.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
Rhodium(III) 2,4-pentanedionate
- CAS RN: 14284-92-5
- Product Code: starshine_CAS14284-92-5
- Purity/Analytical method: >99.0%
-
TERBIUM ACETYLACETONATE
- CAS RN: 14284-95-8
- Product Code: starshine_CAS14284-95-8
- Purity/Analytical method: >99.0%
-
IRON(III) PHTHALOCYANINE CHLORIDE
- CAS RN: 14285-56-4
- Product Code: starshine_CAS14285-56-4
- Purity/Analytical method: >99.0%
-
RHENIUM CARBONYL
- CAS RN: 14285-68-8
- Product Code: starshine_CAS14285-68-8
- Purity/Analytical method: >99.0%
-
Diamminedinitritoplatinum(II)
- CAS RN: 14286-02-3
- Product Code: starshine_CAS14286-02-3
- Purity/Analytical method: >99.0%
-
N,N,N”,N”-TETRAISOBUTYL-MALONAMIDE
- CAS RN: 14287-99-1
- Product Code: starshine_CAS14287-99-1
- Purity/Analytical method: >99.0%
