![CAS 957345-85-6 2-bromo-4H-thieno[2,3-c]pyrrol-6(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/957345-85-6.gif)
CAS RN: 957345-85-6
2-bromo-4H-thieno[2,3-c]pyrrol-6(5H)-one
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.20250401 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-211396
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
957345-85-6 / 2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one
Basic Information
CAS
957345-85-6
Multi CAS
No
Molecular Formula
BC6H4ORnS
Molecular Weight
218.070000
Exact Mass
216.919700
InChI
InChI=1S/C6H4BrNOS/c7-4-1-3-2-8-6(9)5(3)10-4/h1H,2H2,(H,8,9)
InChIKey
DYOODSONLYUOFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.19
TPSA
29.1
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
1.8
Consensus LogP
1.7
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
1H-Isoindol-1-one, 7-fluoro-2,3-dihydro-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 957346-40-6
- Product Code: SSC-211399
-
PYRIDINE, 2-ETHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
- CAS RN: 957346-47-3
- Product Code: SSC-211400
-
3-Fluoro-4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzaMide
- CAS RN: 957346-54-2
- Product Code: SSC-211401
-
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- CAS RN: 957346-57-5
- Product Code: SSC-211402
