![CAS 1514905-24-8 4,8-Bis[5-(2-ethylhexyl)-4-fluoro-2-thienyl]benzo[1,2-b:4,5-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1514905-24-8.gif)
CAS RN: 1514905-24-8
4,8-Bis[5-(2-ethylhexyl)-4-fluoro-2-thienyl]benzo[1,2-b:4,5-b’]dithiophene
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-061320
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 | Shanghai | Inquiry |
1514905-24-8 / 4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]thieno[2,3-f][1]benzothiole
Basic Information
CAS
1514905-24-8
Multi CAS
No
Molecular Formula
C34H40F2S4
Molecular Weight
614.900000
Exact Mass
614.198092
SMILES
CCCCC(CC)CC1=C(C=C(S1)C2=C3C=CSC3=C(C4=C2SC=C4)C5=CC(=C(S5)CC(CC)CCCC)F)F
InChI
InChI=1S/C34H40F2S4/c1-5-9-11-21(7-3)17-27-25(35)19-29(39-27)31-23-13-15-38-34(23)32(24-14-16-37-33(24)31)30-20-26(36)28(40-30)18-22(8-4)12-10-6-2/h13-16,19-22H,5-12,17-18H2,1-4H3
InChIKey
RPYRYMQYXUIFRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
22
Fraction Csp3
0.47
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
177.77
TPSA
113.0000
LogP / Solubility
WLOGP
13.37
MLOGP
11.81
XLogP3
14.4
Consensus LogP
13.19
Log S (ESOL)
-11.56
Class (ESOL)
Insoluble
Log S (Ali)
-14.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.43
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)
3.02
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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