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CAS 66900-68-3 Platinum, (1,2-cyclohexanediamine-N,N’)dinitrato-,(sp-4-2, 1R-trans)- molecular structure lightbox
CAS RN: 66900-68-3

Platinum, (1,2-cyclohexanediamine-N,N’)dinitrato-,(sp-4-2, 1R-trans)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250117 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS66900-68-3
  • Purity/Analytical Methods: >99.0%
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66900-68-3 / [(1R,2R)-2-azanidylcyclohexyl]azanide;platinum(4+);dinitrate

Standard CAS: 66900-68-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66900-68-3
Multi CAS
Yes
Molecular Formula
C6H12N4O6PT
Molecular Weight
431.270000
Exact Mass
431.040478
InChI
InChI=1S/C6H12N2.2NO3.Pt/c7-5-3-1-2-4-6(5)8;2*2-1(3)4;/h5-8H,1-4H2;;;/q-2;2*-1;+4/t5-,6-;;;/m1.../s1
InChIKey
IXGZKDPDRONRDI-SKSSAGQDSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
55.41
TPSA
180

LogP / Solubility

WLOGP
1.92
MLOGP
1.72
XLogP3
1.92
Consensus LogP
1.85
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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