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CAS 10294-39-0 BARIUM PERCHLORATE TRIHYDRATE molecular structure lightbox
CAS RN: 10294-39-0

BARIUM PERCHLORATE TRIHYDRATE

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  • Product code: starshine_CAS10294-39-0
  • Purity/Analytical Methods: >99.0%
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10294-39-0 / barium(2+);diperchlorate;trihydrate

BARIUM PERCHLORATE TRIHYDRATE | RefChem:860154 | MFCD00149148

Standard CAS: 10294-39-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10294-39-0
Multi CAS
Yes
Molecular Formula
BaCl2H6O11
Molecular Weight
390.270000
Exact Mass
389.833963
SMILES
O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ba+2]
InChI
InChI=1S/Ba.2ClHO4.3H2O/c;2*2-1(3,4)5;;;/h;2*(H,2,3,4,5);3*1H2/q+2;;;;;/p-2
InChIKey
NBHDMFAHVJWOHD-UHFFFAOYSA-L
Synonyms
BARIUM PERCHLORATE TRIHYDRATE RefChem:860154 MFCD00149148 BARIUM PERCHLORATE 3-HYDRATE BaCl2H6O11

Computed Properties

Structural Parameters

Heavy atom count
14
H-bond acceptors
8
H-bond donors
3
Molar refractivity
16.6
TPSA
278.98

LogP / Solubility

WLOGP
-12.37
MLOGP
-10.86
XLogP3
-12.37
Consensus LogP
-11.87
Log S (ESOL)
5.53
Class (ESOL)
Highly soluble
Log S (Ali)
6.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
8.07
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)
-13.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Oxidizer Irritant
Signal
Danger
GHS Hazard Statements
H271 (100%): May cause fire or explosion; strong Oxidizer [Danger Oxidizing liquids; Oxidizing solids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P210, P220, P261, P264, P270, P271, P280, P283, P301+P317, P304+P340, P306+P360, P317, P330, P370+P378, P371+P380+P375, P420, and P501

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