![CAS 1411976-67-4 2,5-dithieno[3,2-b]thien-2-yl-1,4- benzenedicarboxylic acid-1,4-diethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1411976-67-4.gif)
CAS RN: 1411976-67-4
2,5-dithieno[3,2-b]thien-2-yl-1,4- benzenedicarboxylic acid-1,4-diethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250318 | 1g / 2g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-051620
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 | Shanghai | Inquiry |
1411976-67-4 / diethyl 2,5-bis(thieno[3,2-b]thiophen-5-yl)benzene-1,4-dicarboxylate
Basic Information
CAS
1411976-67-4
Multi CAS
No
Molecular Formula
C24H18O4S4
Molecular Weight
498.700000
Exact Mass
498.008794
SMILES
CCOC(=O)C1=CC(=C(C=C1C2=CC3=C(S2)C=CS3)C(=O)OCC)C4=CC5=C(S4)C=CS5
InChI
InChI=1S/C24H18O4S4/c1-3-27-23(25)15-9-14(20-12-22-18(32-20)6-8-30-22)16(24(26)28-4-2)10-13(15)19-11-21-17(31-19)5-7-29-21/h5-12H,3-4H2,1-2H3
InChIKey
HMQYDISHUWEQPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
22
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
8
Molar refractivity
135.75
TPSA
52.6
LogP / Solubility
WLOGP
7.93
MLOGP
7.01
XLogP3
7.3
Consensus LogP
7.41
Log S (ESOL)
-8.04
Class (ESOL)
Insoluble
Log S (Ali)
-9.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.2
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)
-0.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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