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CAS 528570-55-0 2,6-Dibromo-4,4-dihexyl-4H-cyclopenta[2,1-b:3,4-b’]dithiophene molecular structure lightbox
CAS RN: 528570-55-0

2,6-Dibromo-4,4-dihexyl-4H-cyclopenta[2,1-b:3,4-b’]dithiophene

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250802 100mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250704 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250511 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260210 5g Out of stock Inquiry
  • Product code: SSC-160002
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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 528570-55-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

528570-55-0 / 4,10-dibromo-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

Standard CAS: 528570-55-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
528570-55-0
Multi CAS
No
Molecular Formula
C21H28BR2S2
Molecular Weight
504.400000
Exact Mass
503.997870
InChI
InChI=1S/C21H28Br2S2/c1-3-5-7-9-11-21(12-10-8-6-4-2)15-13-17(22)24-19(15)20-16(21)14-18(23)25-20/h13-14H,3-12H2,1-2H3
InChIKey
IHAAYZKQSBUSEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.62
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
121.33
TPSA
56.5000

LogP / Solubility

WLOGP
9.54
MLOGP
8.43
XLogP3
11.3
Consensus LogP
9.76
Log S (ESOL)
-8.61
Class (ESOL)
Insoluble
Log S (Ali)
-10.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.06
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)
0.98

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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