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CAS 14588-08-0 Bis(triphenylphosphine)palladium(II) Diacetate molecular structure lightbox
CAS RN: 14588-08-0

Bis(triphenylphosphine)palladium(II) Diacetate

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7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250129 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250827 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260319 25g In stock Shanghai Inquiry
Batchno.20250614 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 1g Out of stock Inquiry
Batchno.20260227 250mg In stock Inquiry
Batchno.20260515 5g Out of stock Inquiry
  • Product code: ICTB2042
  • Purity/Analytical Methods: >98.0%(T)
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14588-08-0 / palladium(2+);bis(triphenylphosphane);diacetate

Standard CAS: 14588-08-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14588-08-0
Multi CAS
No
Molecular Formula
C40H36O4P2Pd
Molecular Weight
749.100000
Exact Mass
748.112360
SMILES
CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]
InChI
InChI=1S/2C18H15P.2C2H4O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h2*1-15H;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKey
UVBXZOISXNZBLY-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
36
Fraction Csp3
0.05
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
191.66
TPSA
80.26

LogP / Solubility

WLOGP
4.4
MLOGP
3.94
XLogP3
4.4
Consensus LogP
4.25
Log S (ESOL)
-7.43
Class (ESOL)
Insoluble
Log S (Ali)
-8.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.17

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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