![CAS 29608-87-5 “2,5‐di(thiophen‐2‐yl)thiazolo[5,4‐d]thiazole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/29608-87-5.gif)
CAS RN: 29608-87-5
“2,5‐di(thiophen‐2‐yl)thiazolo[5,4‐d]thiazole”
- Product code: SSC-132622
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 |
29608-87-5 / 2,5-dithiophen-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole
Basic Information
CAS
29608-87-5
Multi CAS
No
Molecular Formula
C12H6N2S4
Molecular Weight
306.500000
Exact Mass
305.941383
InChI
InChI=1S/C12H6N2S4/c1-3-7(15-5-1)9-13-11-12(17-9)14-10(18-11)8-4-2-6-16-8/h1-6H
InChIKey
OXWNGQFNXFDVAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
81.92
TPSA
25.78
LogP / Solubility
WLOGP
5.21
MLOGP
4.6
XLogP3
4.8
Consensus LogP
4.87
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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