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CAS 10597-52-1 4(7)-NITROBENZIMIDAZOLE molecular structure lightbox
CAS RN: 10597-52-1

4(7)-NITROBENZIMIDAZOLE

Product Availability

Choose a grade to view its available package options.

9 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 1g In stock Inquiry
Batchno.20250829 250mg Out of stock Inquiry
Batchno.20250929 50mg In stock Inquiry
Batchno.20250901 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 100mg In stock Shanghai Inquiry
Batchno.20250704 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250304 250mg Out of stock Inquiry
Batchno.20260129 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260205 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-007603
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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, 0.25g, 1g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • 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 10597-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Beijing Inquiry
1g >98% 1 In Stock Shenzhen Inquiry
5g >98% 0 Out of Stock Shanghai Inquiry

10597-52-1 / 4-nitro-1H-benzimidazole

4-Nitro-1H-benzimidazole | 4-Nitrobenzimidazole | Benzimidazole, 4-nitro-

Standard CAS: 10597-52-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10597-52-1
Multi CAS
Yes
Molecular Formula
C7H5N3O2
Molecular Weight
163.130000
Exact Mass
163.038176
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])N=CN2
InChI
InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-7(6)9-4-8-5/h1-4H,(H,8,9)
InChIKey
NEJMFSBXFBFELK-UHFFFAOYSA-N
Synonyms
4-Nitro-1H-benzimidazole 4-Nitrobenzimidazole Benzimidazole, 4-nitro- Benzimidazole, 4(or 7)-nitro- DTXSID00147449

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.75
TPSA
71.82

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.3
Consensus LogP
1.35
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.67

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

Applications of CAS 10597-52-1

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 10597-52-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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