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CAS RN: 1239460-83-3
5-Bromothieno[2,3-d]pyrimidin-4(3H)-one
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.20251023 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Hebei | 5-7 business days | Inquiry |
- Product code: SSC-027569
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 | Shanghai | Inquiry |
1239460-83-3 / 5-bromo-3H-thieno[2,3-d]pyrimidin-4-one
Basic Information
CAS
1239460-83-3
Multi CAS
No
Molecular Formula
C6H3BrN2OS
Molecular Weight
231.070000
Exact Mass
229.914950
SMILES
C1=C(C2=C(S1)N=CNC2=O)Br
InChI
InChI=1S/C6H3BrN2OS/c7-3-1-11-6-4(3)5(10)8-2-9-6/h1-2H,(H,8,9,10)
InChIKey
FWUCJJDPOLSFEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.94
TPSA
45.75
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1.4
Consensus LogP
1.56
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately 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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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