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CAS 1347736-74-6 4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole molecular structure lightbox
CAS RN: 1347736-74-6

4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole

  • Product code: SSC-042662
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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: ＞97%
  • 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 1347736-74-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1347736-74-6 / 4,7-dibromo-5-fluoro-2,1,3-benzothiadiazole

Standard CAS: 1347736-74-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1347736-74-6
Multi CAS
No
Molecular Formula
C6HBr2FN2S
Molecular Weight
311.960000
Exact Mass
311.819070
SMILES
C1=C(C2=NSN=C2C(=C1F)Br)Br
InChI
InChI=1S/C6HBr2FN2S/c7-2-1-3(9)4(8)6-5(2)10-12-11-6/h1H
InChIKey
KVZDYOVYIHJETJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
52.77
TPSA
25.78

LogP / Solubility

WLOGP
3.36
MLOGP
2.97
XLogP3
3.3
Consensus LogP
3.21
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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