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CAS 1361418-07-6 7-Bromo-4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 1361418-07-6

7-Bromo-4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2-carbaldehyde

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260516 100mg Out of stock Inquiry
Batchno.20250211 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250606 1g Out of stock Inquiry
Batchno.20250310 250mg Out of stock Inquiry
  • Product code: SSC-045039
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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 1361418-07-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1361418-07-6 / 15-bromo-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6-carbaldehyde

Standard CAS: 1361418-07-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1361418-07-6
Multi CAS
No
Molecular Formula
C65H73BrOS2
Molecular Weight
1014.300000
Exact Mass
1012.428620
SMILES
CCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C=C(S5)C=O)C(C6=C4SC(=C6)Br)(C7=CC=C(C=C7)CCCCCC)C8=CC=C(C=C8)CCCCCC)C9=CC=C(C=C9)CCCCCC
InChI
InChI=1S/C65H73BrOS2/c1-5-9-13-17-21-46-25-33-50(34-26-46)64(51-35-27-47(28-36-51)22-18-14-10-6-2)57-43-56-58(42-55(57)62-59(64)41-54(45-67)68-62)65(60-44-61(66)69-63(56)60,52-37-29-48(30-38-52)23-19-15-11-7-3)53-39-31-49(32-40-53)24-20-16-12-8-4/h25-45H,5-24H2,1-4H3
InChIKey
JFWGOQHXSFLLLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
69
Aromatic heavy atom count
40
Fraction Csp3
0.4
Rotatable bonds
25
H-bond acceptors
3
Molar refractivity
301.28
TPSA
17.07

LogP / Solubility

WLOGP
19.6
MLOGP
17.35
XLogP3
23.5
Consensus LogP
20.15
Log S (ESOL)
-17.26
Class (ESOL)
Insoluble
Log S (Ali)
-22.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-25.52
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)
5.01

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
7

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