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CAS 12244-57-4 Sodium aurothiomalate molecular structure lightbox
CAS RN: 12244-57-4

Sodium aurothiomalate

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5 package records2 with current stock2 grade groups
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Batchno.20250716 100mg Out of stock Inquiry
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Batchno.20251106 100mg In stock Shanghai, Hebei Inquiry
Batchno.20250625 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS12244-57-4
  • Purity/Analytical Methods: >99.0%
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12244-57-4 / disodium;gold(1+);2-sulfidobutanedioate

Standard CAS: 12244-57-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12244-57-4
Multi CAS
No
Molecular Formula
C4H3AuNa2O4S
Molecular Weight
390.080000
Exact Mass
389.921313
SMILES
C(C(C(=O)[O-])[S-])C(=O)[O-].[Na+].[Na+].[Au+]
InChI
InChI=1S/C4H6O4S.Au.2Na/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;/q;3*+1/p-3
InChIKey
VXIHRIQNJCRFQX-UHFFFAOYSA-K

Physical Properties

Appearance
White to yellowish-white powder; mixture of mono- and disodium salts
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
25.78
TPSA
80.26

LogP / Solubility

WLOGP
-9.2
MLOGP
-8.08
XLogP3
-9.2
Consensus LogP
-8.83
Log S (ESOL)
3.74
Class (ESOL)
Highly soluble
Log S (Ali)
3.89
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.08
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)
-11.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501

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