![CAS 1231160-82-9 5-(2-Ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e1397-jpgcontextbwfzdgvyfhjvb3r8mza0nth8aw1hz2uvanblz3xommevagzhlzg5mza1ota5mty2mzgvrtezotcuanbnfdc1ndqzzgq1yjjimzm2yjgwothmmzywztgzzdvhmzdkmdk4yti5ogfizjnjnzm1ytm4mzbingnhmjk5mji4mgm.jpeg)
CAS RN: 1231160-82-9
5-(2-Ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260414 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-026748
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 |
1231160-82-9 / 5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione
Basic Information
CAS
1231160-82-9
Multi CAS
No
Molecular Formula
C14H19NO2S
Molecular Weight
265.370000
Exact Mass
265.113650
SMILES
CCCCC(CC)CN1C(=O)C2=CSC=C2C1=O
InChI
InChI=1S/C14H19NO2S/c1-3-5-6-10(4-2)7-15-13(16)11-8-18-9-12(11)14(15)17/h8-10H,3-7H2,1-2H3
InChIKey
PCLDQMLVTDTSOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
72.99
TPSA
37.38
LogP / Solubility
WLOGP
3.56
MLOGP
3.14
XLogP3
3.7
Consensus LogP
3.47
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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