CAS RN: 40226-30-0
BARIUM HYDROXIDE HYDRATE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS40226-30-0
- Purity/Analytical Methods: >99.0%
40226-30-0 / barium(2+);dihydroxide;hydrate
Basic Information
CAS
40226-30-0
Multi CAS
Yes
Molecular Formula
BAH4O3
Molecular Weight
189.360000
Exact Mass
189.921291
InChI
InChI=1S/Ba.3H2O/h;3*1H2/q+2;;;/p-2
InChIKey
GKQTUHKAQKWLIN-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
4
H-bond acceptors
2
H-bond donors
3
Molar refractivity
13.24
TPSA
91.5
LogP / Solubility
WLOGP
-1.56
MLOGP
-1.37
XLogP3
-1.56
Consensus LogP
-1.5
Log S (ESOL)
-0.03
Class (ESOL)
Very soluble
Log S (Ali)
0.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.4
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)
-4.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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