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CAS 78581-99-4 1H-Benzimidazole,5,6-difluoro-(9CI) molecular structure lightbox
CAS RN: 78581-99-4

1H-Benzimidazole,5,6-difluoro-(9CI)

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251018 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250821 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260217 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250412 25g In stock Shanghai Inquiry
Batchno.20260219 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-187954
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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: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • 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 78581-99-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry

78581-99-4 / 5,6-difluoro-1H-benzimidazole

Standard CAS: 78581-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78581-99-4
Multi CAS
No
Molecular Formula
C7F2H4N2
Molecular Weight
154.120000
Exact Mass
154.034254
InChI
InChI=1S/C7H4F2N2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
InChIKey
IAYQNPPZFVAZLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.01
TPSA
28.68

LogP / Solubility

WLOGP
1.84
MLOGP
1.61
XLogP3
1.7
Consensus LogP
1.72
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.35

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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