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CAS 28966-81-6 trans-Bis(triphenylphosphine)palladium dichloride molecular structure lightbox
CAS RN: 28966-81-6

trans-Bis(triphenylphosphine)palladium dichloride

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260214 10g In stock Shanghai Inquiry
Batchno.20250704 1g In stock Shanghai Inquiry
Batchno.20260531 250mg In stock Shanghai Inquiry
Batchno.20260409 25g Out of stock Inquiry
Batchno.20251220 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS28966-81-6
  • Purity/Analytical Methods: >99.0%
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28966-81-6 / palladium(2+);bis(triphenylphosphane);dichloride

Standard CAS: 28966-81-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28966-81-6
Multi CAS
Yes
Molecular Formula
C36H30CL2P2PD
Molecular Weight
701.900000
Exact Mass
700.023460
InChI
InChI=1S/2C18H15P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
InChIKey
YNHIGQDRGKUECZ-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
170.3
TPSA
0.0000

LogP / Solubility

WLOGP
0.9
MLOGP
0.85
XLogP3
0.9
Consensus LogP
0.88
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.37

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
5.5

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