CAS RN: 220191-36-6
2,3-Bis(2,4,5-trimethyl-3-thienyl)maleimide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250705 | 100mg | Out of stock | Inquiry |
- Product code: SSC-105915
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 |
220191-36-6 / 3,4-bis(2,4,5-trimethylthiophen-3-yl)pyrrole-2,5-dione
Basic Information
CAS
220191-36-6
Multi CAS
No
Molecular Formula
C18H19NO2S2
Molecular Weight
345.500000
Exact Mass
345.085721
SMILES
CC1=C(SC(=C1C2=C(C(=O)NC2=O)C3=C(SC(=C3C)C)C)C)C
InChI
InChI=1S/C18H19NO2S2/c1-7-9(3)22-11(5)13(7)15-16(18(21)19-17(15)20)14-8(2)10(4)23-12(14)6/h1-6H3,(H,19,20,21)
InChIKey
OHZCQTZIDIVCPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.02
TPSA
46.17
LogP / Solubility
WLOGP
4.23
MLOGP
3.74
XLogP3
4.3
Consensus LogP
4.09
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 137814-07-4 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2287-jpgcontextbwfzdgvyfhjvb3r8ndi3otn8aw1hz2uvanblz3xondqvagi4lzg5mjg4mtm3nzy5mjyvqjiyodcuanbnfdjknjq3ntuwy2fjodlhzwrknjk4zmjkodnlzjninte2ndnlnjllntq1ytaxzwy1ndyzodbmn2m0ztrmmtg4y2u.jpeg)
