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CAS 100068-60-8 DiR’DiIC18(7) [1,1′-Dioctadecyl-3,3,3′,3′-tetraMethylindotricarbocyanine iodide] molecular structure lightbox
CAS RN: 100068-60-8

DiR’DiIC18(7) [1,1′-Dioctadecyl-3,3,3′,3′-tetraMethylindotricarbocyanine iodide]

Product Availability

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13 package records11 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251014 5mg / 10mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260326 100mg In stock Inquiry
Batchno.20250223 10mg In stock Inquiry
Batchno.20260612 25mg In stock Inquiry
Batchno.20251005 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260224 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260517 10mg In stock Shanghai Inquiry
Batchno.20250902 1g Out of stock Inquiry
Batchno.20250224 250mg Out of stock Inquiry
Batchno.20250106 25mg In stock Shanghai Inquiry
Batchno.20250823 50mg In stock Shanghai Inquiry
Batchno.20250831 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260508 1ml In stock Inquiry
  • Product code: SSC-000341
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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 100068-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

100068-60-8 / 2-[7-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-octadecylindole iodide

diIC18(7) dye | CHEBI:52033 | RefChem:1083639

Standard CAS: 100068-60-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100068-60-8
Multi CAS
Yes
Molecular Formula
C63H101IN2
Molecular Weight
1013.400000
Exact Mass
1012.700950
SMILES
CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCC)(C)C.[I-]
InChI
InChI=1S/C63H101N2.HI/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-46-54-64-58-50-44-42-48-56(58)62(3,4)60(64)52-40-36-35-37-41-53-61-63(5,6)57-49-43-45-51-59(57)65(61)55-47-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h35-37,40-45,48-53H,7-34,38-39,46-47,54-55H2,1-6H3;1H/q+1;/p-1
InChIKey
JLIOTPLALDYAEH-UHFFFAOYSA-M
Synonyms
diIC18(7) dye CHEBI:52033 RefChem:1083639 DiR iodide 100068-60-8

Computed Properties

Structural Parameters

Heavy atom count
66
Aromatic heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
38
H-bond acceptors
1
Molar refractivity
290.67
TPSA
6.25

LogP / Solubility

WLOGP
16.94
MLOGP
15
XLogP3
16.94
Consensus LogP
16.29
Log S (ESOL)
-14.42
Class (ESOL)
Insoluble
Log S (Ali)
-20.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.87
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.13

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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