CAS RN: 12230-71-6
Barium hydroxide octahydrate
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5 package records5 with current stock2 grade groups
- Product code: starshine_CAS12230-71-6
- Purity/Analytical Methods: >99.0%
12230-71-6 / barium(2+);dihydroxide;octahydrate
Basic Information
CAS
12230-71-6
Multi CAS
No
Molecular Formula
BaH18O10
Molecular Weight
315.460000
Exact Mass
315.995244
SMILES
O.O.O.O.O.O.O.O.[OH-].[OH-].[Ba+2]
InChI
InChI=1S/Ba.10H2O/h;10*1H2/q+2;;;;;;;;;;/p-2
InChIKey
ZUDYPQRUOYEARG-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
11
H-bond acceptors
2
H-bond donors
10
Molar refractivity
38.54
TPSA
312
LogP / Solubility
WLOGP
-7.33
MLOGP
-6.44
XLogP3
-7.33
Consensus LogP
-7.03
Log S (ESOL)
2.82
Class (ESOL)
Highly soluble
Log S (Ali)
3.15
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.38
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)
-9.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (81.9%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (83.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (48.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H332 (81.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P321, P330, P363, P405, and P501
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