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CAS 76186-72-6 4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole molecular structure lightbox
CAS RN: 76186-72-6

4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250618 100g In stock Shanghai Inquiry
Batchno.20250411 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260112 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251018 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250327 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260609 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-185624
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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: 0.25g, 1g, 5g, 10g
  • 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 76186-72-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

76186-72-6 / 4,7-dibromo-5,6-dinitro-2,1,3-benzothiadiazole

Standard CAS: 76186-72-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76186-72-6
Multi CAS
No
Molecular Formula
C6BR2N4O4S
Molecular Weight
383.960000
Exact Mass
383.798650
InChI
InChI=1S/C6Br2N4O4S/c7-1-3-4(10-17-9-3)2(8)6(12(15)16)5(1)11(13)14
InChIKey
XEVOZPRNEPMHAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
66.12
TPSA
112.06

LogP / Solubility

WLOGP
3.03
MLOGP
2.69
XLogP3
2.8
Consensus LogP
2.84
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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