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CAS 435294-03-4 Bis(1-phenyl-isoquinoline)(Acetylacetonato)iridium(III) molecular structure lightbox
CAS RN: 435294-03-4

Bis(1-phenyl-isoquinoline)(Acetylacetonato)iridium(III)

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250430 100mg Out of stock Inquiry
Batchno.20250615 250mg Out of stock Inquiry
Batchno.20260113 25mg Out of stock Inquiry
  • Product code: SSC-151711
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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 435294-03-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

435294-03-4 / (Z)-4-hydroxypent-3-en-2-one;iridium;bis(1-phenylisoquinoline)

Standard CAS: 435294-03-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
435294-03-4
Multi CAS
Yes
Molecular Formula
C35H28IRN2O2-2
Molecular Weight
700.800000
Exact Mass
701.178000
InChI
InChI=1S/2C15H10N.C5H8O2.Ir/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-4(6)3-5(2)7;/h2*1-7,9-11H;3,6H,1-2H3;/q2*-1;;/b;;4-3-;
InChIKey
SQMQOSSYPCILHQ-DVACKJPTSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
32
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
159.1
TPSA
63.08

LogP / Solubility

WLOGP
8.44
MLOGP
7.49
XLogP3
8.44
Consensus LogP
8.12
Log S (ESOL)
-9.9
Class (ESOL)
Insoluble
Log S (Ali)
-11.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.58
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

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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