CAS RN: 54711-21-6
5-AMINO-4-CYANO-3-CYANOMETHYLPYRAZOLE
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.20260506 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-162548
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, 0.1g, 0.25g, 5g, 10g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 3 In Stock | Shanghai | Inquiry |
| 5g | >97% | 3 In Stock | Beijing | Inquiry |
| 10g | >97% | 2 In Stock | Shanghai | Inquiry |
54711-21-6 / 3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile
Basic Information
CAS
54711-21-6
Multi CAS
Yes
Molecular Formula
C6H5N5
Molecular Weight
147.140000
Exact Mass
147.054495
InChI
InChI=1S/C6H5N5/c7-2-1-5-4(3-8)6(9)11-10-5/h1H2,(H3,9,10,11)
InChIKey
GSXISOIYTHIBLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.03
TPSA
102.28
LogP / Solubility
WLOGP
-0.07
MLOGP
-0.07
XLogP3
-0.2
Consensus LogP
-0.11
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67
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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![CAS 54713-44-9 [1,1′-Biphenyl]-4-carboxylic acid, 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclop enta[b]furan-5-yl ester, [3aR-[3aa,4a(1E,3R*),5b,6aa]] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/54713-44-9.gif)
