![CAS 1160823-78-8 4,8-Bis[(2-ethylhexyl)oxy]-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5490-jpgcontextbwfzdgvyfhjvb3r8ndqzodz8aw1hz2uvanblz3xozdqvadhilzg5mjkymdm5nzgynzavqju0otauanbnfgyyytrkn2m2ywm4yjkznmyxnwvjmty3ywfmmtqyyjkwnzfkmte2ytvhyjy0mziwmdrhm2y5mdhlnjzlmtbmowu.jpeg)
CAS RN: 1160823-78-8
4,8-Bis[(2-ethylhexyl)oxy]-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b’]dithiophene
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260612 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-016211
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
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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1160823-78-8 / [4,8-bis(2-ethylhexoxy)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
4,8-Bis[(2-ethylhexyl)oxy]-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b']dithiophene | 4,8-Bis((2-ethylhexyl)oxy)-2,6-bis(trimethylstannyl)benzo(1,2-b:4,5-b')dithiophene | RefChem:508367
Basic Information
CAS
1160823-78-8
Multi CAS
Yes
Molecular Formula
C32H54O2S2Sn2
Molecular Weight
772.300000
Exact Mass
772.160330
SMILES
CCCCC(CC)COC1=C2C=C(SC2=C(C3=C1SC(=C3)[Sn](C)(C)C)OCC(CC)CCCC)[Sn](C)(C)C
InChI
InChI=1S/C26H36O2S2.6CH3.2Sn/c1-5-9-11-19(7-3)17-27-23-21-13-15-30-26(21)24(22-14-16-29-25(22)23)28-18-20(8-4)12-10-6-2;;;;;;;;/h13-14,19-20H,5-12,17-18H2,1-4H3;6*1H3;;
InChIKey
XXMOZDBOAIICDA-UHFFFAOYSA-N
Synonyms
4,8-Bis[(2-ethylhexyl)oxy]-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b']dithiophene
4,8-Bis((2-ethylhexyl)oxy)-2,6-bis(trimethylstannyl)benzo(1,2-b:4,5-b')dithiophene
RefChem:508367
806-410-3
(4,8-Bis((2-ethylhexyl)oxy)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane)
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.69
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
180.77
TPSA
18.46
LogP / Solubility
WLOGP
10.4
MLOGP
9.22
XLogP3
10.4
Consensus LogP
10.01
Log S (ESOL)
-10.36
Class (ESOL)
Insoluble
Log S (Ali)
-13.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.23
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)
-0.05
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (92.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
H301 (92.7%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (92.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H331 (92.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501
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