![CAS 3541-37-5 Benzo[b]thiophene-2-carboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3777-jpgcontextbwfzdgvyfhjvb3r8mzm0nzl8aw1hz2uvanblz3xozgyvadc2lzg5mjg5odqymzywnjivqjm3nzcuanbnfdqzndizywzhy2rln2fmzdmyowuzyzhmoguwngjjmzmynjawnzyxmzaznzkzzjjiyjm5yzc4yza0mjq1ndmxotk.jpeg)
CAS RN: 3541-37-5
Benzo[b]thiophene-2-carboxaldehyde
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-142407
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
3541-37-5 / 1-benzothiophene-2-carbaldehyde
Basic Information
CAS
3541-37-5
Multi CAS
Yes
Molecular Formula
C9H6OS
Molecular Weight
162.210000
Exact Mass
162.013936
InChI
InChI=1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
InChIKey
NXSVNPSWARVMAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.21
TPSA
17.07
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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