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CAS 1360891-62-8 7-Chloro-6-nitro-1H-benzimidazole molecular structure lightbox
CAS RN: 1360891-62-8

7-Chloro-6-nitro-1H-benzimidazole

  • Product code: SSC-044748
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1360891-62-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1360891-62-8 / 4-chloro-5-nitro-1H-benzimidazole

Standard CAS: 1360891-62-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1360891-62-8
Multi CAS
No
Molecular Formula
C7H4ClN3O2
Molecular Weight
197.580000
Exact Mass
196.999204
SMILES
C1=CC(=C(C2=C1NC=N2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H4ClN3O2/c8-6-5(11(12)13)2-1-4-7(6)10-3-9-4/h1-3H,(H,9,10)
InChIKey
IJZUCIHBALRZOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.76
TPSA
71.82

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

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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