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CAS 208510-03-6 4-NitroiMidazole-5-carbonitrile molecular structure lightbox
CAS RN: 208510-03-6

4-NitroiMidazole-5-carbonitrile

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250918 1g Out of stock 5-7 business days Inquiry
Batchno.20250913 250mg In stock Shanghai Inquiry
  • Product code: SSC-098007
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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: 0.1g, 1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 208510-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry

208510-03-6 / 5-nitro-1H-imidazole-4-carbonitrile

Standard CAS: 208510-03-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208510-03-6
Multi CAS
No
Molecular Formula
C4H2N4O2
Molecular Weight
138.080000
Exact Mass
138.017775
SMILES
C1=NC(=C(N1)[N+](=O)[O-])C#N
InChI
InChI=1S/C4H2N4O2/c5-1-3-4(8(9)10)7-2-6-3/h2H,(H,6,7)
InChIKey
UNHKJVQFVZYKRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
29.96
TPSA
95.61

LogP / Solubility

WLOGP
0.19
MLOGP
0.16
XLogP3
0.3
Consensus LogP
0.22
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
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)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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