CAS RN: 12152-26-0
DICHLORO(NORBORNADIENE)PLATINUM (II)
Product Availability
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3 package records1 with current stock1 grade group
- Product code: starshine_CAS12152-26-0
- Purity/Analytical Methods: >99.0%
12152-26-0 / bicyclo[2.2.1]hepta-2,5-diene;dichloroplatinum
Basic Information
CAS
12152-26-0
Multi CAS
No
Molecular Formula
C7H8Cl2Pt
Molecular Weight
358.120000
Exact Mass
356.965100
SMILES
C1C2C=CC1C=C2.Cl[Pt]Cl
InChI
InChI=1S/C7H8.2ClH.Pt/c1-2-7-4-3-6(1)5-7;;;/h1-4,6-7H,5H2;2*1H;/q;;;+2/p-2
InChIKey
AYGLNRVTDUMGOQ-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.43
Molar refractivity
41.58
TPSA
0.0000
LogP / Solubility
WLOGP
3.13
MLOGP
2.77
XLogP3
3.13
Consensus LogP
3.01
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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
Yes
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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