CAS RN: 13933-33-0
Tetraammineplatinum (II) chloride hydrate
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS13933-33-0
- Purity/Analytical Methods: >99.0%
13933-33-0 / azane;dichloroplatinum;hydrate
Basic Information
CAS
13933-33-0
Multi CAS
No
Molecular Formula
Cl2H14N4OPt
Molecular Weight
352.130000
Exact Mass
351.019261
SMILES
N.N.N.N.O.Cl[Pt]Cl
InChI
InChI=1S/2ClH.4H3N.H2O.Pt/h2*1H;4*1H3;1H2;/q;;;;;;;+2/p-2
InChIKey
GWBDNMCYHWRSOH-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
35.41
TPSA
171.5
LogP / Solubility
WLOGP
1.2
MLOGP
1.07
XLogP3
1.2
Consensus LogP
1.16
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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