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CAS 108257-41-6 4-CYANOIMIDAZOLE molecular structure lightbox
CAS RN: 108257-41-6

4-CYANOIMIDAZOLE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250404 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-009552
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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: 0.25g, 0.1g, 1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 108257-41-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

108257-41-6 / 5-methyl-1H-imidazole-4-carbonitrile

5-Methyl-1H-imidazole-4-carbonitrile | 5-Methylimidazole-4-carbonitrile | MFCD19219933

Standard CAS: 108257-41-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
108257-41-6
Multi CAS
Yes
Molecular Formula
C5H5N3
Molecular Weight
107.110000
Exact Mass
107.048347
SMILES
CC1=C(N=CN1)C#N
InChI
InChI=1S/C5H5N3/c1-4-5(2-6)8-3-7-4/h3H,1H3,(H,7,8)
InChIKey
KODWZZOTTOSNLW-UHFFFAOYSA-N
Synonyms
5-Methyl-1H-imidazole-4-carbonitrile 5-Methylimidazole-4-carbonitrile MFCD19219933 4-Methyl-1h-imidazole-5-carbonitrile 1H-Imidazole-4-carbonitrile, 5-methyl-

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.04
TPSA
52.47

LogP / Solubility

WLOGP
0.59
MLOGP
0.51
XLogP3
0.5
Consensus LogP
0.53
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
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)
-2.95

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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