CAS RN: 13874-04-9
Ammonium tetrachloroaurate
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS13874-04-9
- Purity/Analytical Methods: >99.0%
13874-04-9 / azanium;tetrachlorogold(1-);hydrate
Basic Information
CAS
13874-04-9
Multi CAS
No
Molecular Formula
AuCl4H6NO
Molecular Weight
374.800000
Exact Mass
374.883970
SMILES
[NH4+].O.Cl[Au-](Cl)(Cl)Cl
InChI
InChI=1S/Au.4ClH.H3N.H2O/h;4*1H;1H3;1H2/q+3;;;;;;/p-3
InChIKey
DTYXSEJVOCMIPK-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.01
TPSA
68
LogP / Solubility
WLOGP
2.31
MLOGP
2.05
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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