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CAS 63782-74-1 Tris(dibenzylideneacetone)diplatinuM(0) molecular structure lightbox
CAS RN: 63782-74-1

Tris(dibenzylideneacetone)diplatinuM(0)

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6 package records3 with current stock2 grade groups
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Batchno.20251116 100mg In stock Inquiry
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  • Product code: starshine_CAS63782-74-1
  • Purity/Analytical Methods: >99.0%
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63782-74-1 / tris(1,5-diphenylpenta-1,4-diyn-3-one);platinum

Standard CAS: 63782-74-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63782-74-1
Multi CAS
Yes
Molecular Formula
C51H30O3PT2
Molecular Weight
1080.900000
Exact Mass
1079.146973
InChI
InChI=1S/3C17H14O.2Pt/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;
InChIKey
TZSNBHPFGNSWPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
214.94
TPSA
51.21

LogP / Solubility

WLOGP
7.97
MLOGP
7.12
XLogP3
7.97
Consensus LogP
7.69
Log S (ESOL)
-12.04
Class (ESOL)
Insoluble
Log S (Ali)
-14.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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