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CAS 1798782-02-1 XPhos Pd(crotyl)Cl molecular structure lightbox
CAS RN: 1798782-02-1

XPhos Pd(crotyl)Cl

  • Product code: SSC-080186
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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, 10g, 25g
  • 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 1798782-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Beijing Inquiry
0.25g >98% 5 In Stock Hong Kong Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
25g >98% 5 In Stock Beijing Inquiry

1798782-02-1 / [2-[(E)-but-2-enyl]-3-chloro-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane;palladium(2+)

Standard CAS: 1798782-02-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1798782-02-1
Multi CAS
No
Molecular Formula
C37H54ClPPd+2
Molecular Weight
671.700000
Exact Mass
670.268650
SMILES
C/C=C/CC1=C(C=CC(=C1P(C2CCCCC2)C3CCCCC3)C4=C(C=C(C=C4C(C)C)C(C)C)C(C)C)Cl.[Pd+2]
InChI
InChI=1S/C37H54ClP.Pd/c1-8-9-20-31-35(38)22-21-32(36-33(26(4)5)23-28(25(2)3)24-34(36)27(6)7)37(31)39(29-16-12-10-13-17-29)30-18-14-11-15-19-30;/h8-9,21-27,29-30H,10-20H2,1-7H3;/q;+2/b9-8+;
InChIKey
JKDXLSQCLASSTC-HRNDJLQDSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
9
Molar refractivity
177.97
TPSA
0.0000

LogP / Solubility

WLOGP
12.27
MLOGP
10.85
XLogP3
12.27
Consensus LogP
11.8
Log S (ESOL)
-11.36
Class (ESOL)
Insoluble
Log S (Ali)
-13.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.29
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)
1.89

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 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Applications of CAS 1798782-02-1

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1798782-02-1 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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