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CAS 56289-64-6 IR 676 Iodide molecular structure lightbox
CAS RN: 56289-64-6

IR 676 Iodide

Product Availability

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 50mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 1g Out of stock Inquiry
Batchno.20250712 250mg Out of stock Inquiry
  • Product code: SSC-164271
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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: 1g
  • 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 56289-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

56289-64-6 / (2Z)-1,1,3-trimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indole iodide

Standard CAS: 56289-64-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56289-64-6
Multi CAS
Yes
Molecular Formula
C35H35In2
Molecular Weight
610.600000
Exact Mass
610.184500
InChI
InChI=1S/C35H35N2.HI/c1-34(2)30(36(5)28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-7-9-19-31-35(3,4)33-27-17-13-11-15-25(27)21-23-29(33)37(31)6;/h7-23H,1-6H3;1H/q+1;/p-1
InChIKey
PXXBSYXTQAWFHV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
20
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
159.57
TPSA
6.25

LogP / Solubility

WLOGP
5.43
MLOGP
4.82
XLogP3
5.43
Consensus LogP
5.23
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-8.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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