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CAS 1147124-23-9 6,6′-Dibromo-1,1′-bis(2-exylhexyl)isoindigo molecular structure lightbox
CAS RN: 1147124-23-9

6,6′-Dibromo-1,1′-bis(2-exylhexyl)isoindigo

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250514 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260110 5g Out of stock Inquiry
  • Product code: SSC-014440
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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: ＞97%
  • 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 1147124-23-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1147124-23-9 / (3Z)-6-bromo-3-[6-bromo-1-(2-ethylhexyl)-2-oxoindol-3-ylidene]-1-(2-ethylhexyl)indol-2-one

6,6'-Dibromo-1,1'-bis(2-ethylhexyl)-[3,3'-biindolinylidene]-2,2'-dione | 2H-Indol-2-one, 6-bromo-3-[6-bromo-1-(2-ethylhexyl)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]-1-(2-ethylhexyl)-1,3-dihydro- | SCHEMBL13058805

Standard CAS: 1147124-23-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1147124-23-9
Multi CAS
Yes
Molecular Formula
C32H40Br2N2O2
Molecular Weight
644.500000
Exact Mass
644.143600
SMILES
CCCCC(CC)CN1C2=C(C=CC(=C2)Br)/C(=C/3\C4=C(C=C(C=C4)Br)N(C3=O)CC(CC)CCCC)/C1=O
InChI
InChI=1S/C32H40Br2N2O2/c1-5-9-11-21(7-3)19-35-27-17-23(33)13-15-25(27)29(31(35)37)30-26-16-14-24(34)18-28(26)36(32(30)38)20-22(8-4)12-10-6-2/h13-18,21-22H,5-12,19-20H2,1-4H3/b30-29-
InChIKey
HUEXOUHCCSVYLP-FLWNBWAVSA-N
Synonyms
6,6'-Dibromo-1,1'-bis(2-ethylhexyl)-[3,3'-biindolinylidene]-2,2'-dione 2H-Indol-2-one, 6-bromo-3-[6-bromo-1-(2-ethylhexyl)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]-1-(2-ethylhexyl)-1,3-dihydro- SCHEMBL13058805 (e)-6,6'-dibromo-1,1'-bis(2-ethylhexyl)-[3,3'-biindolinylidene]-2,2'-dione (Z)-6,6'-dibromo-1,1'-bis(2-ethylhexyl)-[3,3'-biindolinylidene]-2,2'-dione

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
166.42
TPSA
40.62

LogP / Solubility

WLOGP
9.25
MLOGP
8.19
XLogP3
9.6
Consensus LogP
9.01
Log S (ESOL)
-9.1
Class (ESOL)
Insoluble
Log S (Ali)
-11.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.97
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)
-0.09

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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