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CAS 391665-84-2 Ir(dFppy)3 molecular structure lightbox
CAS RN: 391665-84-2

Ir(dFppy)3

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260613 250mg Out of stock Inquiry
Batchno.20251206 50mg Out of stock Inquiry
  • Product code: SSC-146791
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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 391665-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

391665-84-2 / tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+)

Standard CAS: 391665-84-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
391665-84-2
Multi CAS
No
Molecular Formula
C33F6H18IRn3
Molecular Weight
762.700000
Exact Mass
763.103420
InChI
InChI=1S/3C11H6F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1-4,6-7H;/q3*-1;+3
InChIKey
GJHHESUUYZNNGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
145.27
TPSA
38.67

LogP / Solubility

WLOGP
8.48
MLOGP
7.53
XLogP3
8.48
Consensus LogP
8.16
Log S (ESOL)
-10.33
Class (ESOL)
Insoluble
Log S (Ali)
-11.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.01
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)
-1.35

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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