CAS RN: 22840-91-1
didimethylsulfoxide dichloroplatinum(II)
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS22840-91-1
- Purity/Analytical Methods: >99.0%
22840-91-1 / methylsulfinylmethane;platinum(2+);dichloride
Basic Information
CAS
22840-91-1
Multi CAS
No
Molecular Formula
C4H12Cl2O2PtS2
Molecular Weight
422.300000
Exact Mass
420.930372
SMILES
CS(=O)C.CS(=O)C.[Cl-].[Cl-].[Pt+2]
InChI
InChI=1S/2C2H6OS.2ClH.Pt/c2*1-4(2)3;;;/h2*1-2H3;2*1H;/q;;;;+2/p-2
InChIKey
KDADQDWVKZJTDQ-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
39.98
TPSA
34.14
LogP / Solubility
WLOGP
-6.01
MLOGP
-5.26
XLogP3
-6.01
Consensus LogP
-5.76
Log S (ESOL)
1.33
Class (ESOL)
Highly soluble
Log S (Ali)
1.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.58
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)
-9.56
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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