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CAS 2151915-22-7 Methanesulfonato[2,2′-bis(diphenylphosphino)-1,1′-binaphthyl](2′-amino-1,1′-biphenyl-2-yl)palladium(II) molecular structure lightbox
CAS RN: 2151915-22-7

Methanesulfonato[2,2′-bis(diphenylphosphino)-1,1′-binaphthyl](2′-amino-1,1′-biphenyl-2-yl)palladium(II)

  • Product code: SSC-103133
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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, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • 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 2151915-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g >95% 1 In Stock Shenzhen Inquiry
100g >95% 1 In Stock Hong Kong Inquiry

2151915-22-7 / [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;methanesulfonic acid;palladium;2-phenylaniline

Standard CAS: 2151915-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2151915-22-7
Multi CAS
No
Molecular Formula
C57H46NO3P2PdS-
Molecular Weight
993.400000
Exact Mass
992.170840
SMILES
CS(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
InChI
InChI=1S/C44H32P2.C12H10N.CH4O3S.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h1-32H;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;
InChIKey
YMXAISMYVLNYKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
65
Aromatic heavy atom count
56
Fraction Csp3
0.02
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
276.9
TPSA
80.39

LogP / Solubility

WLOGP
11.41
MLOGP
10.14
XLogP3
11.41
Consensus LogP
10.99
Log S (ESOL)
-13.3
Class (ESOL)
Insoluble
Log S (Ali)
-15.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.68

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
7.5

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