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CAS 1041005-52-0 Dichloro bis(dicyclohexylphosphino)propane palladium(II) molecular structure lightbox
CAS RN: 1041005-52-0

Dichloro bis(dicyclohexylphosphino)propane palladium(II)

  • Product code: SSC-005871
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • 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 1041005-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Shanghai Inquiry
1g >98% 1 In Stock Beijing Inquiry
5g >98% 1 In Stock Hong Kong Inquiry

1041005-52-0 / dichloropalladium;dicyclohexyl(3-dicyclohexylphosphaniumylpropyl)phosphanium

C27H50Cl2P2Pd | dicyclohexyl(3-dicyclohexylphosphanylpropyl)phosphane;palladium(2+);dichloride

Standard CAS: 1041005-52-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1041005-52-0
Multi CAS
Yes
Molecular Formula
C27H52Cl2P2Pd+2
Molecular Weight
616.000000
Exact Mass
614.195610
SMILES
C1CCC(CC1)[PH+](CCC[PH+](C2CCCCC2)C3CCCCC3)C4CCCCC4.Cl[Pd]Cl
InChI
InChI=1S/C27H50P2.2ClH.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h24-27H,1-23H2;2*1H;/q;;;+2
InChIKey
JLEVAMQVDDHWOI-UHFFFAOYSA-N
Synonyms
C27H50Cl2P2Pd dicyclohexyl(3-dicyclohexylphosphanylpropyl)phosphane;palladium(2+);dichloride

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
8
Molar refractivity
150.18
TPSA
0.0000

LogP / Solubility

WLOGP
10.51
MLOGP
9.3
XLogP3
10.51
Consensus LogP
10.11
Log S (ESOL)
-9.75
Class (ESOL)
Insoluble
Log S (Ali)
-12.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.99

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

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