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CAS 359014-76-9 Tris (2- (4-tert-butylphenyl) pyridine) iridium molecular structure lightbox
CAS RN: 359014-76-9

Tris (2- (4-tert-butylphenyl) pyridine) iridium

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 100mg In stock Shanghai Inquiry
Batchno.20250111 1g In stock Shanghai Inquiry
Batchno.20251121 250mg In stock Shanghai Inquiry
Batchno.20251106 50mg In stock Shanghai Inquiry
  • Product code: SSC-142989
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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: ≥95%
  • 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 359014-76-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

359014-76-9 / tris(2-(4-tert-butylbenzene-6-id-1-yl)pyridine);iridium(3+)

Standard CAS: 359014-76-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
359014-76-9
Multi CAS
Yes
Molecular Formula
C45H48IRn3
Molecular Weight
823.100000
Exact Mass
823.347750
InChI
InChI=1S/3C15H16N.Ir/c3*1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;/h3*4-7,9-11H,1-3H3;/q3*-1;+3
InChIKey
MKIVCTPNMZUZPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
36
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
201.63
TPSA
38.67

LogP / Solubility

WLOGP
11.54
MLOGP
10.23
XLogP3
11.54
Consensus LogP
11.1
Log S (ESOL)
-12.56
Class (ESOL)
Insoluble
Log S (Ali)
-14.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.95
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)
0.45

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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