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CAS 1848244-57-4 VPhos Pd G4 molecular structure lightbox
CAS RN: 1848244-57-4

VPhos Pd G4

  • Product code: SSC-085425
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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
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 1848244-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g >97% 2 In Stock Hong Kong Inquiry

1848244-57-4 / dicyclohexyl-[2-(2,4-ditert-butyl-6-methoxyphenyl)phenyl]phosphanium;methanesulfonic acid;N-methyl-2-phenylaniline;palladium(2+)

Standard CAS: 1848244-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1848244-57-4
Multi CAS
No
Molecular Formula
C47H66NO4PPdS+2
Molecular Weight
878.500000
Exact Mass
877.348500
SMILES
CC(C)(C)C1=CC(=C(C(=C1)OC)C2=CC=CC=C2[PH+](C3CCCCC3)C4CCCCC4)C(C)(C)C.CNC1=CC=CC=C1C2=CC=CC=[C-]2.CS(=O)(=O)O.[Pd+2]
InChI
InChI=1S/C33H49OP.C13H12N.CH4O3S.Pd/c1-32(2,3)24-22-28(33(4,5)6)31(29(23-24)34-7)27-20-14-15-21-30(27)35(25-16-10-8-11-17-25)26-18-12-9-13-19-26;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;/h14-15,20-23,25-26H,8-13,16-19H2,1-7H3;2-7,9-10,14H,1H3;1H3,(H,2,3,4);/q;-1;;+2/p+1
InChIKey
XZEYGNBCNYQMHX-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
55
Aromatic heavy atom count
24
Fraction Csp3
0.49
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
235.26
TPSA
75.63

LogP / Solubility

WLOGP
12.16
MLOGP
10.78
XLogP3
12.16
Consensus LogP
11.7
Log S (ESOL)
-12.81
Class (ESOL)
Insoluble
Log S (Ali)
-15.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.3
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.55

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
5.5

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