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CAS 1028206-56-5 XPhos Pd G1 molecular structure lightbox
CAS RN: 1028206-56-5

XPhos Pd G1

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250620 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250724 500mg In stock Shandong Inquiry
Batchno.20250608 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-004166
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Verified Factory Data

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  • Pack sizes on record: 0.1g, 1g, 0.25g, 5g, 10g, 25g
  • Available purity: >98%
  • 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 1028206-56-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 2 In Stock Hong Kong Inquiry
1g >98% 2 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Hong Kong Inquiry
5g >98% 0 Out of Stock Shenzhen Inquiry
10g >98% 0 Out of Stock Shenzhen Inquiry
25g >98% 0 Out of Stock Beijing Inquiry

1028206-56-5 / chloropalladium(1+);dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-phenylethanamine

DTXSID90647822 | Chloropalladium(1+) 2-(2-aminoethyl)benzen-1-ide--dicyclohexyl(2',4',6'-tri(propan-2-yl)(1,1'-biphenyl)-2-yl)phosphane (1/1/1) | RefChem:1081448

Standard CAS: 1028206-56-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1028206-56-5
Multi CAS
Yes
Molecular Formula
C41H59ClNPPd
Molecular Weight
738.800000
Exact Mass
737.310850
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]
InChI
InChI=1S/C33H49P.C8H10N.ClH.Pd/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;9-7-6-8-4-2-1-3-5-8;;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-4H,6-7,9H2;1H;/q;-1;;+2/p-1
InChIKey
NMMPMZWIIQCZBA-UHFFFAOYSA-M
Synonyms
DTXSID90647822 Chloropalladium(1+) 2-(2-aminoethyl)benzen-1-ide--dicyclohexyl(2',4',6'-tri(propan-2-yl)(1,1'-biphenyl)-2-yl)phosphane (1/1/1) RefChem:1081448 DTXCID40598572 XPhosPdG1

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
18
Fraction Csp3
0.56
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
198.33
TPSA
26.02

LogP / Solubility

WLOGP
12.17
MLOGP
10.78
XLogP3
12.17
Consensus LogP
11.71
Log S (ESOL)
-11.79
Class (ESOL)
Insoluble
Log S (Ali)
-14.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.64
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)
1.42

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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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