![CAS 389-58-2 4H-Cyclopenta[2,1-b:3,4-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c3021-jpgcontextbwfzdgvyfhjvb3r8mzu0nzv8aw1hz2uvanblz3xomzgvadrmlzg5mjk2ntcxntk3mtavqzmwmjeuanbnfgizn2fhmjlkyjqzode0mmexnmflnzhkodi4ytk0mtk5ytbimzgyn2u5njrjn2jkmjyzmmzkmgvmywfjztu1mjy.jpeg)
CAS RN: 389-58-2
4H-Cyclopenta[2,1-b:3,4-b’]dithiophene
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: SSC-146508
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
389-58-2 / 3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
Basic Information
CAS
389-58-2
Multi CAS
No
Molecular Formula
C9H6S2
Molecular Weight
178.300000
Exact Mass
177.991093
InChI
InChI=1S/C9H6S2/c1-3-10-8-6(1)5-7-2-4-11-9(7)8/h1-4H,5H2
InChIKey
UITASDKJJNYORO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
50.44
TPSA
56.5000
LogP / Solubility
WLOGP
3.38
MLOGP
2.97
XLogP3
3
Consensus LogP
3.12
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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