![CAS 1781261-91-3 2-Butyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene [for organic electronics] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6248-jpgcontextbwfzdgvyfhjvb3r8mtu2mzj8aw1hz2uvanblz3xomwevadyxlzkxmzyxotm2njcxmdivqjyyndguanbnfdzhzdjhzgq3njcxyja2mgzjmdfhogu5zjvmzjllmjgyoddky2qxyzuzmda1n2m5zde0ywq2n2qwyzywzgy3mwq.jpeg)
CAS RN: 1781261-91-3
2-Butyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene [for organic electronics]
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: SSC-078354
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1781261-91-3 / 7-butyl-2-phenyl-[1]benzothiolo[3,2-b][1]benzothiole
Basic Information
CAS
1781261-91-3
Multi CAS
No
Molecular Formula
C24H20S2
Molecular Weight
372.500000
Exact Mass
372.100643
SMILES
CCCCC1=CC2=C(C=C1)C3=C(S2)C4=C(S3)C=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H20S2/c1-2-3-7-16-10-12-19-21(14-16)25-24-20-13-11-18(15-22(20)26-23(19)24)17-8-5-4-6-9-17/h4-6,8-15H,2-3,7H2,1H3
InChIKey
PFZNEZMYQGFNOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
22
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
118.76
TPSA
56.5000
LogP / Solubility
WLOGP
8.28
MLOGP
7.31
XLogP3
8.9
Consensus LogP
8.16
Log S (ESOL)
-7.73
Class (ESOL)
Insoluble
Log S (Ali)
-8.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.43
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
Yes
Log Kp (skin permeation)
0.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1627606-00-1 2-Dodecyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene [for organic electronics] molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-Dodecyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene [for organic electronics]
- CAS RN: 1627606-00-1
- Product Code: SSC-070137
-
2-Hexyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene [for organic electronics]
- CAS RN: 1781261-93-5
- Product Code: SSC-078355
-
2-Octyl-7-phenyl-benzo[d][1]benzothieno[3,2-b]thiophene [for organic electronics]
- CAS RN: 1781261-95-7
- Product Code: SSC-078356
-
6,13-Diphenylpentacene
- CAS RN: 76727-11-2
- Product Code: ICTD4469
- Purity/Analytical method: >95.0%(HPLC)
-
2,6-Diphenylanthracene (purified by sublimation)
- CAS RN: 95950-70-2
- Product Code: SSC-211675
-
2,8-Dimethylanthra[2,3-b:7,6-b’]dithiophene (purified by sublimation)
- CAS RN: 1392416-39-5
- Product Code: ICTD4618
![CAS 1627606-00-1 2-Dodecyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene [for organic electronics] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5910-jpgcontextbwfzdgvyfhjvb3r8mtu1mdl8aw1hz2uvanblz3xoyjivagm3lzkxmzyxotq1odq2mdyvrdu5mtauanbnfgezmwm5zdlknte3mzu4ndm3otg5otnhztm5zgfhzjzln2rkzta4ogfhyzq2owfinju2mgq0mzjlzgrkmmfjngq.jpeg)
![CAS 1781261-93-5 2-Hexyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene [for organic electronics] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/h1769-jpgcontextbwfzdgvyfhjvb3r8mtu0njl8aw1hz2uvanblz3xondmvagrjlzkxmzyxotuxnzq0mzavsde3njkuanbnfgq0oddkyjzhmjc3ymy4zwm4ymnjyjg4n2i3zjjhognhmjnkowmznji4mzmyogmwntyyytrjm2rim2iymdzhnjm.jpeg)
![CAS 1781261-95-7 2-Octyl-7-phenyl-benzo[d][1]benzothieno[3,2-b]thiophene [for organic electronics] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/o0576-jpgcontextbwfzdgvyfhjvb3r8mtu1odf8aw1hz2uvanblz3xoztgvagm0lzkxmzyxotu4mjk3otavtza1nzyuanbnfgizm2rmzdriodrmzmjhmti0otu1ymnmztc4ztk4yzu5odm1mjmyymvimtbhmgi5zmyznwe1mwuym2uyymiwody.jpeg)
![CAS 1392416-39-5 2,8-Dimethylanthra[2,3-b:7,6-b’]dithiophene (purified by sublimation) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4618-jpgcontextbwfzdgvyfhjvb3r8mjgymdr8aw1hz2uvanblz3xomzmvagu1lzg5mzayotkwodq4mzavrdq2mtguanbnfgnlzgm2zdnkmwvkmdfhyjbjntg0ndaznddknwzlodq0ngrmmzy4ymm4m2fmzdllmgfkmtgxmdnkzty2odm4ntk.jpeg)