CAS RN: 134620-00-1

Tetraamminepalladium (II) hydrogen carbonate

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  • Product code: starshine_CAS134620-00-1
  • Purity/Analytical Methods: >99.0%
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134620-00-1 / azane;hydrogen carbonate;palladium(2+)

Standard CAS: 134620-00-1 Multi CAS: No

Basic Information

CAS
134620-00-1
Multi CAS
No
Molecular Formula
C2H14N4O6Pd
Molecular Weight
296.580000
Exact Mass
295.994810
SMILES
C(=O)(O)[O-].C(=O)(O)[O-].N.N.N.N.[Pd+2]
InChI
InChI=1S/2CH2O3.4H3N.Pd/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);4*1H3;/q;;;;;;+2/p-2
InChIKey
QYYPTZGPXKUKRM-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
13
H-bond acceptors
8
H-bond donors
6
Molar refractivity
36.14
TPSA
260.72

LogP / Solubility

WLOGP
-1.58
MLOGP
-1.38
XLogP3
-1.58
Consensus LogP
-1.51
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.28
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)
-5.65

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P333+P317, P362+P364, P391, and P501

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