CAS RN: 13958-98-0
3-Bromo-4-cyanopyridine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251126 | 100g | In stock | Wuhan | Inquiry |
| Batchno.20250108 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260518 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250313 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250805 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260305 | 5g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
- Product code: SSC-050198
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, 100g
- Available purity: ≥98%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 3 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 3 In Stock | Hong Kong | Inquiry |
| 5g | -- | 0 Out of Stock | Beijing | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | -- | 0 Out of Stock | Beijing | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 25g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
13958-98-0 / 3-bromopyridine-4-carbonitrile
Basic Information
CAS
13958-98-0
Multi CAS
No
Molecular Formula
C6H3BrN2
Molecular Weight
183.010000
Exact Mass
181.947960
SMILES
C1=CN=CC(=C1C#N)Br
InChI
InChI=1S/C6H3BrN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
InChIKey
VPDIXJCBBUZNPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
36.65
TPSA
36.68
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.2
Consensus LogP
1.48
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (25%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
H301 (37.5%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (12.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
