CAS RN: 7791-28-8
BARIUM BROMIDE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS7791-28-8
- Purity/Analytical Methods: >99.0%
7791-28-8 / barium(2+);dibromide;dihydrate
Basic Information
CAS
7791-28-8
Multi CAS
Yes
Molecular Formula
BABR2H4O2
Molecular Weight
333.170000
Exact Mass
333.761000
InChI
InChI=1S/Ba.2BrH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
InChIKey
HQQMRSGBIPFNSN-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
12.98
TPSA
63
LogP / Solubility
WLOGP
-8.02
MLOGP
-7.04
XLogP3
-8.02
Consensus LogP
-7.69
Log S (ESOL)
3.15
Class (ESOL)
Highly soluble
Log S (Ali)
3.5
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.83
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)
-10.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1
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