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CAS 153312-86-8 4,4-Dihexyl-4H-cyclopenta[1,2-b:5,4-b’]dithiophene molecular structure lightbox
CAS RN: 153312-86-8

4,4-Dihexyl-4H-cyclopenta[1,2-b:5,4-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.20260407 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250701 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250715 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250727 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250910 5g In stock Shenzhen Inquiry
  • Product code: SSC-062808
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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 153312-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

153312-86-8 / 7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

Standard CAS: 153312-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153312-86-8
Multi CAS
No
Molecular Formula
C21H30S2
Molecular Weight
346.600000
Exact Mass
346.178893
SMILES
CCCCCCC1(C2=C(C3=C1C=CS3)SC=C2)CCCCCC
InChI
InChI=1S/C21H30S2/c1-3-5-7-9-13-21(14-10-8-6-4-2)17-11-15-22-19(17)20-18(21)12-16-23-20/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKey
RTOLOMCKXMZOIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.62
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
105.93
TPSA
56.5000

LogP / Solubility

WLOGP
8.02
MLOGP
7.07
XLogP3
9.3
Consensus LogP
8.13
Log S (ESOL)
-6.7
Class (ESOL)
Insoluble
Log S (Ali)
-8.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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