CAS RN: 13464-92-1
CADMIUM BROMIDE TETRAHYDRATE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS13464-92-1
- Purity/Analytical Methods: >99.0%
13464-92-1 / cadmium(2+);dibromide;tetrahydrate
Basic Information
CAS
13464-92-1
Multi CAS
No
Molecular Formula
Br2CdH8O4
Molecular Weight
344.280000
Exact Mass
345.780250
SMILES
O.O.O.O.[Br-].[Br-].[Cd+2]
InChI
InChI=1S/2BrH.Cd.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2
InChIKey
PANYFCXNZSEXSU-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
14.46
TPSA
126
LogP / Solubility
WLOGP
-9.29
MLOGP
-8.16
XLogP3
-9.29
Consensus LogP
-8.91
Log S (ESOL)
3.88
Class (ESOL)
Highly soluble
Log S (Ali)
4.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.82
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)
-11.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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