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CAS 19978-61-1 [1,2-Bis(diphenylphosphino)ethane]palladium(II) Dichloride molecular structure lightbox
CAS RN: 19978-61-1

[1,2-Bis(diphenylphosphino)ethane]palladium(II) Dichloride

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250222 1g In stock Shanghai Inquiry
Batchno.20250520 250mg In stock Shanghai Inquiry
Batchno.20260208 25g In stock Shanghai Inquiry
Batchno.20250629 5g In stock Shanghai Inquiry
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Batchno.20250718 10g Out of stock Inquiry
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Batchno.20260123 5g In stock Inquiry
  • Product code: ICTB2016
  • Purity/Analytical Methods: >98.0%(T)
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19978-61-1 / dichloropalladium;2-diphenylphosphanylethyl(diphenyl)phosphane

Standard CAS: 19978-61-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19978-61-1
Multi CAS
No
Molecular Formula
C26H24Cl2P2Pd
Molecular Weight
575.700000
Exact Mass
573.976510
SMILES
C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Pd]Cl
InChI
InChI=1S/C26H24P2.2ClH.Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h1-20H,21-22H2;2*1H;/q;;;+2/p-2
InChIKey
LDJXFZUGZASGIW-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.08
Rotatable bonds
7
Molar refractivity
139.58
TPSA
0.0000

LogP / Solubility

WLOGP
6.63
MLOGP
5.88
XLogP3
6.63
Consensus LogP
6.38
Log S (ESOL)
-7.7
Class (ESOL)
Insoluble
Log S (Ali)
-9.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.74
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)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (71.1%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (30.2%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (69.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (69.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (30.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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