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CAS 50850-94-7 1,3-Dioxolo[4,5-f]benzothiazol-6-amine(9CI) molecular structure lightbox
CAS RN: 50850-94-7

1,3-Dioxolo[4,5-f]benzothiazol-6-amine(9CI)

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250121 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251223 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260603 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250929 250mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-157606
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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 50850-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

50850-94-7 / [1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

Standard CAS: 50850-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50850-94-7
Multi CAS
No
Molecular Formula
C8H6N2O2S
Molecular Weight
194.210000
Exact Mass
194.014999
InChI
InChI=1S/C8H6N2O2S/c9-8-10-4-1-5-6(12-3-11-5)2-7(4)13-8/h1-2H,3H2,(H2,9,10)
InChIKey
GAIRHYOGMGDIGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.16
TPSA
57.37

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
1.8
Consensus LogP
1.61
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

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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