![CAS 1398395-83-9 2-Decyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene [for organic electronics] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5491-jpgcontextbwfzdgvyfhjvb3r8mjc4njh8aw1hz2uvanblz3xoowqvagfhlzg5mzaznzq3nzg5mtavrdu0oteuanbnfde3ytziytzjy2y0m2u5mtdizdrlownmowy3mjqxymm4zwq2mmq3mtm2zjdindqyzwq5mti1nwzmy2nlmwq1n2u.jpeg)
CAS RN: 1398395-83-9
2-Decyl-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 records0 with current stock2 grade groups
- Product code: SSC-050348
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
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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1398395-83-9 / 7-decyl-2-phenyl-[1]benzothiolo[3,2-b][1]benzothiole
Basic Information
CAS
1398395-83-9
Multi CAS
No
Molecular Formula
C30H32S2
Molecular Weight
456.700000
Exact Mass
456.194543
SMILES
CCCCCCCCCCC1=CC2=C(C=C1)C3=C(S2)C4=C(S3)C=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H32S2/c1-2-3-4-5-6-7-8-10-13-22-16-18-25-27(20-22)31-30-26-19-17-24(21-28(26)32-29(25)30)23-14-11-9-12-15-23/h9,11-12,14-21H,2-8,10,13H2,1H3
InChIKey
ZIQBVBKYAZMQPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
22
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
146.46
TPSA
56.5000
LogP / Solubility
WLOGP
10.62
MLOGP
9.38
XLogP3
12.1
Consensus LogP
10.7
Log S (ESOL)
-9.21
Class (ESOL)
Insoluble
Log S (Ali)
-10.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.64
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)
2.03
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
3.5
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