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CAS 1798782-25-8 tBuXPhos Pd(allyl)OTf molecular structure lightbox
CAS RN: 1798782-25-8

tBuXPhos Pd(allyl)OTf

  • Product code: SSC-080199
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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
  • Available purity: >98%
  • Inventory rows with stock: 4
  • 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 1798782-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Shenzhen Inquiry
0.25g >98% 5 In Stock Shanghai Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry

1798782-25-8 / but-1-ene;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium;trifluoromethanesulfonic acid

Standard CAS: 1798782-25-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1798782-25-8
Multi CAS
No
Molecular Formula
C34H54F3O3PPdS
Molecular Weight
737.200000
Exact Mass
736.251820
SMILES
CCC=C.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)O.[Pd]
InChI
InChI=1S/C29H45P.C4H8.CHF3O3S.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;1-3-4-2;2-1(3,4)8(5,6)7;/h13-21H,1-12H3;3H,1,4H2,2H3;(H,5,6,7);
InChIKey
VSDTVLFLSACKNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
178.3
TPSA
54.37

LogP / Solubility

WLOGP
11.4
MLOGP
10.1
XLogP3
11.4
Consensus LogP
10.97
Log S (ESOL)
-11.4
Class (ESOL)
Insoluble
Log S (Ali)
-13.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.64
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.88

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

Applications of CAS 1798782-25-8

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1798782-25-8 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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