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CAS 13450-87-8 GADOLINIUM(III) SULFATE molecular structure lightbox
CAS RN: 13450-87-8

GADOLINIUM(III) SULFATE

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250522 10g In stock Inquiry
Batchno.20250314 1kg In stock Shanghai Inquiry
Batchno.20250417 250g In stock Shanghai, Chongqing Inquiry
Batchno.20251118 50g In stock Inquiry
Batchno.20260311 50g In stock Shanghai, Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 2g / 10g / 50g / 250g / 1kg Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS13450-87-8
  • Purity/Analytical Methods: >99.0%
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13450-87-8 / gadolinium;sulfuric acid;hydrate

Standard CAS: 13450-87-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13450-87-8
Multi CAS
No
Molecular Formula
GdH4O5S
Molecular Weight
273.350000
Exact Mass
273.902060
SMILES
O.OS(=O)(=O)O.[Gd]
InChI
InChI=1S/2Gd.3H2O4S.8H2O/c;;3*1-5(2,3)4;;;;;;;;/h;;3*(H2,1,2,3,4);8*1H2/q2*+3;;;;;;;;;;;/p-6
InChIKey
JBFCVGZGWFIPNK-UHFFFAOYSA-H

Computed Properties

Structural Parameters

Heavy atom count
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
17.79
TPSA
106.1

LogP / Solubility

WLOGP
-1.48
MLOGP
-1.29
XLogP3
-1.48
Consensus LogP
-1.42
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very 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)
-5.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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