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CAS 1507403-85-1 4MetBuXPhos Pd G3 molecular structure lightbox
CAS RN: 1507403-85-1

4MetBuXPhos Pd G3

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260124 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260528 1g In stock Shanghai Inquiry
Batchno.20260225 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250207 5g In stock Shanghai Inquiry
  • Product code: SSC-060669
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1507403-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1507403-85-1 / ditert-butyl-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonate;palladium(2+);(2-phenylphenyl)azanide

Standard CAS: 1507403-85-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1507403-85-1
Multi CAS
No
Molecular Formula
C46H66NO3PPdS
Molecular Weight
850.500000
Exact Mass
849.353580
SMILES
CC1=C(C(=C(C(=C1C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)[PH+](C(C)(C)C)C(C)(C)C)C)C.CS(=O)(=O)[O-].C1=CC=C([C-]=C1)C2=CC=CC=C2[NH-].[Pd+2]
InChI
InChI=1S/C33H53P.C12H9N.CH4O3S.Pd/c1-19(2)26-17-27(20(3)4)30(28(18-26)21(5)6)29-24(9)22(7)23(8)25(10)31(29)34(32(11,12)13)33(14,15)16;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h17-21H,1-16H3;1-6,8-9,13H;1H3,(H,2,3,4);/q;-2;;+2
InChIKey
JMEGCNBORPOUMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
24
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
230.86
TPSA
81

LogP / Solubility

WLOGP
13.39
MLOGP
11.86
XLogP3
13.39
Consensus LogP
12.88
Log S (ESOL)
-13.49
Class (ESOL)
Insoluble
Log S (Ali)
-16.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.02
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.6

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
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P280, P302+P352, P321, P332+P317, and P362+P364

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