![CAS 6314-28-9 Benzo[b]thiophene-2-carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2033-jpgcontextbwfzdgvyfhjvb3r8mziznjb8aw1hz2uvanblz3xoyzyvagzilzg5mjg3nju4mdq1nzqvqjiwmzmuanbnfgm3ymy1nzi5y2njztbimgvlmzkzngu3zta0m2y0ztq5zgy3zwi0nzg0owm0ntezy2u5zmy1odmwmmy3ywywy2q.jpeg)
CAS RN: 6314-28-9
Benzo[b]thiophene-2-carboxylic Acid
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251029 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-172702
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: 1g, 10g, 5g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 4 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 3 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 3 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
6314-28-9 / 1-benzothiophene-2-carboxylic acid
Basic Information
CAS
6314-28-9
Multi CAS
Yes
Molecular Formula
C9H6O2S
Molecular Weight
178.210000
Exact Mass
178.008851
InChI
InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChIKey
DYSJMQABFPKAQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.78
TPSA
37.3
LogP / Solubility
WLOGP
2.6
MLOGP
2.28
XLogP3
2.8
Consensus LogP
2.56
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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