CAS RN: 13780-42-2
GALLIUM(III) SULFATE HYDRATE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS13780-42-2
- Purity/Analytical Methods: >99.0%
13780-42-2 / digallium;trisulfate;hydrate
Basic Information
CAS
13780-42-2
Multi CAS
No
Molecular Formula
Ga2H2O13S3
Molecular Weight
445.700000
Exact Mass
445.716030
SMILES
O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ga+3].[Ga+3]
InChI
InChI=1S/2Ga.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6
InChIKey
CMNGAUGWXGMLDK-UHFFFAOYSA-H
Computed Properties
Structural Parameters
Heavy atom count
18
H-bond acceptors
12
H-bond donors
1
Molar refractivity
46.55
TPSA
272.28
LogP / Solubility
WLOGP
-5.6
MLOGP
-4.9
XLogP3
-5.6
Consensus LogP
-5.37
Log S (ESOL)
0.93
Class (ESOL)
Highly soluble
Log S (Ali)
0.83
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.09
Class (SILICOS-IT)
Highly 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)
-9.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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