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CAS 1621274-19-8 XantPhos Pd G4 molecular structure lightbox
CAS RN: 1621274-19-8

XantPhos Pd G4

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-069660
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Verified Factory Data

Supply Overview & Packaging Options

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  • Pack sizes on record: 1g, 10g, 0.25g, 5g, 25g, 0.1g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • 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 1621274-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Beijing Inquiry
10g >98% 5 In Stock Shanghai Inquiry
0.25g >98% 4 In Stock Shenzhen Inquiry
5g >98% 4 In Stock Hong Kong Inquiry
25g >98% 4 In Stock Hong Kong Inquiry
0.1g >98% 3 In Stock Beijing Inquiry

1621274-19-8 / 4,5-bis(diphenylphosphanyl)-9,9-dimethylxanthene-1-sulfonate;N-methyl-2-phenylaniline;palladium(2+)

Standard CAS: 1621274-19-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1621274-19-8
Multi CAS
No
Molecular Formula
C52H43NO4P2PdS
Molecular Weight
946.300000
Exact Mass
945.142280
SMILES
CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C(C=CC(=C51)S(=O)(=O)[O-])P(C6=CC=CC=C6)C7=CC=CC=C7)C.CNC1=CC=CC=C1C2=CC=CC=[C-]2.[Pd+2]
InChI
InChI=1S/C39H32O4P2S.C13H12N.Pd/c1-39(2)32-24-15-25-33(44(28-16-7-3-8-17-28)29-18-9-4-10-19-29)37(32)43-38-34(26-27-35(36(38)39)46(40,41)42)45(30-20-11-5-12-21-30)31-22-13-6-14-23-31;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;/h3-27H,1-2H3,(H,40,41,42);2-7,9-10,14H,1H3;/q;-1;+2/p-1
InChIKey
KOOVUEQXJMPHRD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
48
Fraction Csp3
0.08
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
250.72
TPSA
78.46

LogP / Solubility

WLOGP
9.73
MLOGP
8.65
XLogP3
9.73
Consensus LogP
9.37
Log S (ESOL)
-11.83
Class (ESOL)
Insoluble
Log S (Ali)
-14.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.97
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)
-1.58

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315+H320 (100%): Cause skin and eye irritation [Warning Skin corrosion/irritation and serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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