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CAS 14221-01-3 Tetrakis(triphenylphosphine)palladium(0) molecular structure lightbox
CAS RN: 14221-01-3

Tetrakis(triphenylphosphine)palladium(0)

  • Product code: SSC-052977
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 5g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 14221-01-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shanghai Inquiry
10g >98% 4 In Stock Beijing Inquiry
5g >98% 3 In Stock Shenzhen Inquiry
25g >98% 3 In Stock Shenzhen Inquiry
100g >98% 1 In Stock Shenzhen Inquiry

14221-01-3 / palladium;tetrakis(triphenylphosphane)

Standard CAS: 14221-01-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
14221-01-3
Multi CAS
No
Molecular Formula
C72H60P4Pd
Molecular Weight
1155.600000
Exact Mass
1154.268030
SMILES
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.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]
InChI
InChI=1S/4C18H15P.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;
InChIKey
NFHFRUOZVGFOOS-UHFFFAOYSA-N

Physical Properties

Physical Description
Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
77
Aromatic heavy atom count
72
Rotatable bonds
12
Molar refractivity
340.59
TPSA
0.0000

LogP / Solubility

WLOGP
13.78
MLOGP
12.24
XLogP3
13.78
Consensus LogP
13.27
Log S (ESOL)
-15.58
Class (ESOL)
Insoluble
Log S (Ali)
-18.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.05
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)
0.01

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (83.9%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (54.4%): May cause an allergic skin reaction [Warning Sensitization, Skin] H413 (70.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

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