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CAS 665005-28-7 (iridiuM(III) bis[5-cyano-4-fluorophenyl)pyridinato-N,C2`]picolinate) molecular structure lightbox
CAS RN: 665005-28-7

(iridiuM(III) bis[5-cyano-4-fluorophenyl)pyridinato-N,C2`]picolinate)

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251127 100mg In stock Shanghai Inquiry
Batchno.20260416 1g Out of stock Inquiry
Batchno.20251108 250mg In stock Shanghai Inquiry
Batchno.20250217 25mg In stock Shanghai Inquiry
Batchno.20250308 50mg In stock Shanghai Inquiry
  • Product code: SSC-176198
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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 665005-28-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

665005-28-7 / tris(2,6-difluoro-4-pyridin-2-ylbenzonitrile);iridium

Standard CAS: 665005-28-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
665005-28-7
Multi CAS
Yes
Molecular Formula
C36F6H18IRn6
Molecular Weight
840.800000
Exact Mass
841.112640
InChI
InChI=1S/3C12H6F2N2.Ir/c3*13-10-5-8(6-11(14)9(10)7-15)12-3-1-2-4-16-12;/h3*1-6H;
InChIKey
NMLYKRGQBSVSGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
36
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
162.91
TPSA
110.04

LogP / Solubility

WLOGP
8.69
MLOGP
7.73
XLogP3
8.69
Consensus LogP
8.37
Log S (ESOL)
-10.88
Class (ESOL)
Insoluble
Log S (Ali)
-12.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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