CAS RN: 15244-38-9

ChroMiuM(III) sulfate hydrate

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  • Product code: starshine_CAS15244-38-9
  • Purity/Analytical Methods: >99.0%
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15244-38-9 / bis(chromium(3+));trisulfate;hydrate

Standard CAS: 15244-38-9 Multi CAS: No

Basic Information

CAS
15244-38-9
Multi CAS
No
Molecular Formula
Cr2H2O13S3
Molecular Weight
410.200000
Exact Mass
409.746763
SMILES
O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cr+3].[Cr+3]
InChI
InChI=1S/2Cr.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6
InChIKey
KVIYQADEXNCDCB-UHFFFAOYSA-H

Computed Properties

Structural Parameters

Heavy atom count
18
H-bond acceptors
12
H-bond donors
1
Molar refractivity
35.04
TPSA
272.28

LogP / Solubility

WLOGP
-4.84
MLOGP
-4.24
XLogP3
-4.84
Consensus LogP
-4.64
Log S (ESOL)
0.67
Class (ESOL)
Highly soluble
Log S (Ali)
0.57
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.69
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)
-8.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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