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CAS 1294515-75-5 2,6-Dibromo-4,8-bis(n-octyloxy)benzo[1,2-b:4,5-b’]dithiophene molecular structure lightbox
CAS RN: 1294515-75-5

2,6-Dibromo-4,8-bis(n-octyloxy)benzo[1,2-b:4,5-b’]dithiophene

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250223 1g In stock Inquiry
Batchno.20250320 200mg In stock Inquiry
Batchno.20260119 50mg In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20260423 50mg Out of stock Inquiry
  • Product code: SSC-036466
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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: ≥98%
  • 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 1294515-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

1294515-75-5 / 2,6-dibromo-4,8-dioctoxythieno[2,3-f][1]benzothiole

Standard CAS: 1294515-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1294515-75-5
Multi CAS
No
Molecular Formula
C26H36Br2O2S2
Molecular Weight
604.500000
Exact Mass
604.050300
SMILES
CCCCCCCCOC1=C2C=C(SC2=C(C3=C1SC(=C3)Br)OCCCCCCCC)Br
InChI
InChI=1S/C26H36Br2O2S2/c1-3-5-7-9-11-13-15-29-23-19-17-21(27)32-26(19)24(20-18-22(28)31-25(20)23)30-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKey
GXGDTYKIKNMZTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
150.35
TPSA
18.46

LogP / Solubility

WLOGP
11.12
MLOGP
9.83
XLogP3
12.8
Consensus LogP
11.25
Log S (ESOL)
-9.81
Class (ESOL)
Insoluble
Log S (Ali)
-12.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.74
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)
1.49

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
2.5

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