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CAS 2408294-08-4 Palladium, [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC][1-[bis(1,1-dimethylethyl)phosphino-κP]-1′-[bis(1,1-dimethylethyl)phosphino]ferrocene](methanesulfonato-κO)- molecular structure lightbox
CAS RN: 2408294-08-4

Palladium, [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC][1-[bis(1,1-dimethylethyl)phosphino-κP]-1′-[bis(1,1-dimethylethyl)phosphino]ferrocene](methanesulfonato-κO)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-117277
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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: 1g, 0.1g, 5g, 10g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 2408294-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shanghai Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shenzhen Inquiry
10g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry

2408294-08-4 / bis(ditert-butyl(cyclopentyl)phosphane);iron;methanesulfonic acid;palladium;2-phenylaniline

Standard CAS: 2408294-08-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2408294-08-4
Multi CAS
No
Molecular Formula
C39H68FeNO3P2PdS-
Molecular Weight
855.200000
Exact Mass
854.277930
SMILES
CC(C)(C)P(C1CCCC1)C(C)(C)C.CC(C)(C)P(C1CCCC1)C(C)(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Fe].[Pd]
InChI
InChI=1S/2C13H23P.C12H10N.CH4O3S.Fe.Pd/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;;/h2*7-11H,1-6H3;1-6,8-9H,13H2;1H3,(H,2,3,4);;/q;;-1;;;
InChIKey
NPYZFLIFWCFTLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
12
Fraction Csp3
0.69
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
209.96
TPSA
80.39

LogP / Solubility

WLOGP
12.25
MLOGP
10.86
XLogP3
12.25
Consensus LogP
11.79
Log S (ESOL)
-12.85
Class (ESOL)
Insoluble
Log S (Ali)
-15.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.75
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)
0.76

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

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