CAS RN: 42839-04-3
4-Pyrimidinecarbonitrile (7CI,9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250815 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-151107
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: 0.1g, 0.25g, 5g, 10g, 1g
- 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 |
|---|---|---|---|---|
| 0.1g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 2 In Stock | Beijing | Inquiry |
| 10g | >98% | 2 In Stock | Shanghai | Inquiry |
| 1g | >98% | 1 In Stock | Hong Kong | Inquiry |
42839-04-3 / pyrimidine-4-carbonitrile
Basic Information
CAS
42839-04-3
Multi CAS
No
Molecular Formula
C5H3N3
Molecular Weight
105.100000
Exact Mass
105.032697
InChI
InChI=1S/C5H3N3/c6-3-5-1-2-7-4-8-5/h1-2,4H
InChIKey
ZIEWSZYVEDTXGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
26.75
TPSA
49.57
LogP / Solubility
WLOGP
0.35
MLOGP
0.3
XLogP3
-0.1
Consensus LogP
0.18
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very 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)
-3.11
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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