CAS RN: 3058-39-7
4-Iodobenzonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250120 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: SSC-135285
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: 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 100g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 500g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 1000g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
3058-39-7 / 4-iodobenzonitrile
Basic Information
CAS
3058-39-7
Multi CAS
Yes
Molecular Formula
C7H4In
Molecular Weight
229.020000
Exact Mass
228.938850
InChI
InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey
XOKDXPVXJWTSRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
43.87
TPSA
23.79
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
3
Consensus LogP
2.36
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-2.58
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
![CAS 305-01-1 Esculetin [Matrix for MALDI-TOF/MS] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e1287-jpgcontextbwfzdgvyfhjvb3r8mzi5mtj8aw1hz2uvanblz3xoy2yvadmxlzg5mza1odu2nzm3ntgvrteyodcuanbnfgnhmtljzte3mgy0ytayzwzlotu1n2mzngqymtmzzgzhowy2ymvjyza1zjc2n2i3zwq3zwmxnwnmotmxytdlodi.jpeg)
