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CAS 1008361-81-6 5-broMo-4-chloro-1H-benzo[d]iMidazole molecular structure lightbox
CAS RN: 1008361-81-6

5-broMo-4-chloro-1H-benzo[d]iMidazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250708 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-001569
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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: 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 1008361-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1008361-81-6 / 5-bromo-4-chloro-1H-benzimidazole

5-bromo-4-chloro-1H-benzoimidazole | 5-BROMO-4-CHLORO-1H-BENZO[D]IMIDAZOLE | 6-Bromo-7-chloro-1H-benzo[d]imidazole

Standard CAS: 1008361-81-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1008361-81-6
Multi CAS
No
Molecular Formula
C7H4BrClN2
Molecular Weight
231.480000
Exact Mass
229.924640
SMILES
C1=CC(=C(C2=C1NC=N2)Cl)Br
InChI
InChI=1S/C7H4BrClN2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-3H,(H,10,11)
InChIKey
MJXDWVUPIRXRDE-UHFFFAOYSA-N
Synonyms
5-bromo-4-chloro-1H-benzoimidazole 5-BROMO-4-CHLORO-1H-BENZO[D]IMIDAZOLE 6-Bromo-7-chloro-1H-benzo[d]imidazole 5-bromo-4-chloro-1H-benzimidazole 1H-BENZIMIDAZOLE, 6-BROMO-7-CHLORO-

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.8
TPSA
28.68

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
2.8
Consensus LogP
2.8
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

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

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