CAS RN: 4965-26-8
5-Nitrobenzothiophene
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251007 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250309 | 10g | Out of stock | Inquiry | |
| Batchno.20260112 | 1g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250321 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250424 | 25g | Out of stock | Inquiry | |
| Batchno.20250717 | 5g | Out of stock | Inquiry |
- Product code: SSC-155869
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, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 2
- 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.
4965-26-8 / 5-nitro-1-benzothiophene
Basic Information
CAS
4965-26-8
Multi CAS
No
Molecular Formula
C8H5NO2S
Molecular Weight
179.200000
Exact Mass
179.004100
InChI
InChI=1S/C8H5NO2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChIKey
NOVKHIQVXQKSRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.48
TPSA
43.14
LogP / Solubility
WLOGP
2.81
MLOGP
2.47
XLogP3
2.9
Consensus LogP
2.73
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-1.82
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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