CAS RN: 57455-37-5
Pigment Blue 29
Product Availability
Available package options are listed below.
3 package records3 with current stock
- Product code: starshine_CAS57455-37-5
- Purity/Analytical Methods: >99.0%
57455-37-5 / Pigment Blue 29
Basic Information
CAS
57455-37-5
Multi CAS
No
Molecular Formula
AL6NA8O24S3SI6
Molecular Weight
994.500000
Exact Mass
993.463108
InChI
InChI=1S/6Al.8Na.6O4Si.H2S3/c;;;;;;;;;;;;;;6*1-5(2,3)4;1-3-2/h;;;;;;;;;;;;;;;;;;;;1-2H/q6*+3;8*+1;6*-4;/p-2
InChIKey
IRERQBUNZFJFGC-UHFFFAOYSA-L
Physical Properties
Physical Description
NKRA; Dry Powder; Dry Powder, Other Solid
An inorganic, reddish-blue powder pigment and one of the three synthetic ultramarines; The structure is a "three-dimensional aluminosilicate lattice" containing ionic sulfur groups. Azure blue is "derived from china clay by calcination." [Ullmann]
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
47
H-bond acceptors
27
Molar refractivity
91.37
TPSA
553.44
LogP / Solubility
WLOGP
-56.43
MLOGP
-49.56
XLogP3
-56.43
Consensus LogP
-54.14
Log S (ESOL)
29.55
Class (ESOL)
Highly soluble
Log S (Ali)
33.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
40.71
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)
-48.85
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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