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CAS 500295-52-3 Tris[2-(2-pyridinyl-κN)-5-(trifluoromethyl)phenyl-κC]iridium(III) molecular structure lightbox
CAS RN: 500295-52-3

Tris[2-(2-pyridinyl-κN)-5-(trifluoromethyl)phenyl-κC]iridium(III)

Product Availability

Choose a grade to view its available package options.

8 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250326 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250404 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260127 10g Out of stock Inquiry
Batchno.20251110 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250613 250mg In stock Shanghai Inquiry
Batchno.20260416 25g Out of stock Inquiry
Batchno.20260226 50mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250304 5g Out of stock Inquiry
  • Product code: SSC-156340
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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: 0.25g
  • Available purity: ＞97%
  • 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 500295-52-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

500295-52-3 / iridium(3+);tris(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)

Standard CAS: 500295-52-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
500295-52-3
Multi CAS
Yes
Molecular Formula
C36F9H21IRn3
Molecular Weight
858.800000
Exact Mass
859.122100
InChI
InChI=1S/3C12H7F3N.Ir/c3*13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;/h3*1-4,6-8H;/q3*-1;+3
InChIKey
TXUSYAYOQXPEJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
36
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
160.53
TPSA
38.67

LogP / Solubility

WLOGP
10.7
MLOGP
9.5
XLogP3
10.7
Consensus LogP
10.3
Log S (ESOL)
-12.25
Class (ESOL)
Insoluble
Log S (Ali)
-14.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.48
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)
-0.36

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
5.5

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