![CAS 852054-42-3 7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5396-jpgcontextbwfzdgvyfhjvb3r8mzqynzj8aw1hz2uvanblz3xozjcvadaylzg5mjkxotk0ntyyodyvqjuzotyuanbnfdvknmq2mdjmzwu3ntmxngqynme5ywq5zdbiztzlnji5odmwzgnimgqymmzhnjlhmtiyngnjmzc3ngqyotq0oda.jpeg)
CAS RN: 852054-42-3
7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxaldehyde
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260213 | 50mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: SSC-193444
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 | Hong Kong | Inquiry |
852054-42-3 / 5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbaldehyde
Basic Information
CAS
852054-42-3
Multi CAS
No
Molecular Formula
C7H5BRO3S
Molecular Weight
249.080000
Exact Mass
247.914280
InChI
InChI=1S/C7H5BrO3S/c8-7-6-5(4(3-9)12-7)10-1-2-11-6/h3H,1-2H2
InChIKey
YEKBJVHBVICUOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
48.4
TPSA
35.53
LogP / Solubility
WLOGP
2.09
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.75
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
1.5
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