![CAS 7312-18-7 5-BROMOBENZO[B]THIOPHENE-2-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/7312-18-7.gif)
CAS RN: 7312-18-7
5-BROMOBENZO[B]THIOPHENE-2-CARBALDEHYDE
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.20250507 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-182601
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 | Beijing | Inquiry |
7312-18-7 / 5-bromo-1-benzothiophene-2-carbaldehyde
Basic Information
CAS
7312-18-7
Multi CAS
Yes
Molecular Formula
C9H5BROS
Molecular Weight
241.110000
Exact Mass
239.924450
InChI
InChI=1S/C9H5BrOS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChIKey
JCWGQAINAKCVJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.91
TPSA
17.07
LogP / Solubility
WLOGP
3.48
MLOGP
3.06
XLogP3
3.4
Consensus LogP
3.31
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72
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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