CAS RN: 18432-95-6
DICHLORO(1,10-PHENANTHROLINE)PLATINUM(II)
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS18432-95-6
- Purity/Analytical Methods: >99.0%
18432-95-6 / 1,10-phenanthroline;platinum(2+);dichloride
Basic Information
CAS
18432-95-6
Multi CAS
No
Molecular Formula
C12H8Cl2N2Pt
Molecular Weight
446.200000
Exact Mass
444.971248
SMILES
C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cl-].[Cl-].[Pt+2]
InChI
InChI=1S/C12H8N2.2ClH.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-8H;2*1H;/q;;;+2/p-2
InChIKey
VONLGUDYJIAGQI-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
14
H-bond acceptors
2
Molar refractivity
57.04
TPSA
25.78
LogP / Solubility
WLOGP
-3.21
MLOGP
-2.8
XLogP3
-3.21
Consensus LogP
-3.07
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.11
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)
-7.72
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
1.5
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