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CAS RN: 1336893-15-2
2,6-Dibromo-4,8-bis[(2-butyl-n-octyl)oxy]benzo[1,2-b:4,5-b’]dithiophene
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251112 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-040591
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: ≥94%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥94% | 0 Out of Stock | Hong Kong | Inquiry |
1336893-15-2 / 2,6-dibromo-4,8-bis(2-butyloctoxy)thieno[2,3-f][1]benzothiole
Basic Information
CAS
1336893-15-2
Multi CAS
No
Molecular Formula
C34H52Br2O2S2
Molecular Weight
716.700000
Exact Mass
716.175500
SMILES
CCCCCCC(CCCC)COC1=C2C=C(SC2=C(C3=C1SC(=C3)Br)OCC(CCCC)CCCCCC)Br
InChI
InChI=1S/C34H52Br2O2S2/c1-5-9-13-15-19-25(17-11-7-3)23-37-31-27-21-29(35)40-34(27)32(28-22-30(36)39-33(28)31)38-24-26(18-12-8-4)20-16-14-10-6-2/h21-22,25-26H,5-20,23-24H2,1-4H3
InChIKey
XXZPBOPQASGASH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
22
H-bond acceptors
4
Molar refractivity
187.15
TPSA
18.46
LogP / Solubility
WLOGP
13.95
MLOGP
12.34
XLogP3
16.5
Consensus LogP
14.26
Log S (ESOL)
-11.84
Class (ESOL)
Insoluble
Log S (Ali)
-15.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.54
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)
2.81
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
5
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