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CAS 25688-23-7 1-(3-Nitrophenyl)-1H-1,2,4-triazole molecular structure lightbox
CAS RN: 25688-23-7

1-(3-Nitrophenyl)-1H-1,2,4-triazole

  • Product code: SSC-122100
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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, 1g, 5g, 10g, 0.1g
  • 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 25688-23-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 5 In Stock Shenzhen Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
5g ≥97% 4 In Stock Shanghai Inquiry
10g ≥97% 4 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry

25688-23-7 / 1-(3-nitrophenyl)-1,2,4-triazole

Standard CAS: 25688-23-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25688-23-7
Multi CAS
No
Molecular Formula
C8H6N4O2
Molecular Weight
190.160000
Exact Mass
190.049075
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N2C=NC=N2
InChI
InChI=1S/C8H6N4O2/c13-12(14)8-3-1-2-7(4-8)11-6-9-5-10-11/h1-6H
InChIKey
HYTFMMVEHXWFEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.01
TPSA
73.85

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
1.5
Consensus LogP
1.24
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-3.05

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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