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CAS 105333-10-6 (η5-2,4-Cyclopentadien-1-yl)[(1,2,3-η)-1-phenyl-2-propenyl]-palladium 95% molecular structure lightbox
CAS RN: 105333-10-6

(η5-2,4-Cyclopentadien-1-yl)[(1,2,3-η)-1-phenyl-2-propenyl]-palladium 95%

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250615 250mg In stock Shanghai Inquiry
Batchno.20250718 5g In stock Shanghai Inquiry
  • Product code: SSC-007069
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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: ≥98%
  • 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 105333-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

105333-10-6 / cyclopenta-1,3-diene;palladium(2+);prop-2-enylbenzene

DTXSID50745979 | Palladium(2+) cyclopenta-2,4-dien-1-ide 1-phenylprop-2-en-1-ide (1/1/1) | RefChem:367831

Standard CAS: 105333-10-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105333-10-6
Multi CAS
Yes
Molecular Formula
C14H14Pd
Molecular Weight
288.680000
Exact Mass
288.013030
SMILES
C=C[CH-]C1=CC=CC=C1.[CH-]1C=CC=C1.[Pd+2]
InChI
InChI=1S/C9H9.C5H5.Pd/c1-2-6-9-7-4-3-5-8-9;1-2-4-5-3-1;/h2-8H,1H2;1-5H;/q2*-1;+2
InChIKey
XGXLXDILAKXROZ-UHFFFAOYSA-N
Synonyms
DTXSID50745979 Palladium(2+) cyclopenta-2,4-dien-1-ide 1-phenylprop-2-en-1-ide (1/1/1) RefChem:367831 DTXCID80696723

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
62.08
TPSA
0.0000

LogP / Solubility

WLOGP
3.83
MLOGP
3.38
XLogP3
3.83
Consensus LogP
3.68
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids]
Precautionary Statement Codes
P210, P240, P241, P280, and P370+P378

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