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CAS 359-85-3 2H-1,2,4-Benzothiadiazine 1,1-dioxide molecular structure lightbox
CAS RN: 359-85-3

2H-1,2,4-Benzothiadiazine 1,1-dioxide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-142983
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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 359-85-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

359-85-3 / 4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Standard CAS: 359-85-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
359-85-3
Multi CAS
Yes
Molecular Formula
C7H6N2O2S
Molecular Weight
182.200000
Exact Mass
182.014999
InChI
InChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1-5H,(H,8,9)
InChIKey
BBNGVMNBBLPZIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.74
TPSA
58.53

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.2
Consensus LogP
0.59
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

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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