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CAS 1071224-34-4 7-Bromo-2,1,3-benzothiadiazole-4-carboxaldehyde molecular structure lightbox
CAS RN: 1071224-34-4

7-Bromo-2,1,3-benzothiadiazole-4-carboxaldehyde

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250808 100mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-008565
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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 1071224-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1071224-34-4 / 4-bromo-2,1,3-benzothiadiazole-7-carbaldehyde

7-bromo-2,1,3-benzothiadiazole-4-carboxaldehyde | RefChem:545626 | 802-522-1

Standard CAS: 1071224-34-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1071224-34-4
Multi CAS
No
Molecular Formula
C7H3BrN2OS
Molecular Weight
243.080000
Exact Mass
241.914950
SMILES
C1=C(C2=NSN=C2C(=C1)Br)C=O
InChI
InChI=1S/C7H3BrN2OS/c8-5-2-1-4(3-11)6-7(5)10-12-9-6/h1-3H
InChIKey
VPDPNJVAWKCZEH-UHFFFAOYSA-N
Synonyms
7-bromo-2,1,3-benzothiadiazole-4-carboxaldehyde RefChem:545626 802-522-1 7-Bromobenzo[c][1,2,5]thiadiazole-4-carbaldehyde 7-bromo-benzo[c][1,2,5]thiadiazole-4-carbaldehyde

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
50.5
TPSA
42.85

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
1.9
Consensus LogP
2.06
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.59

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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