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CAS 40172-65-4 2-AMINO-BETA-NAPHTHOTHIAZOLE molecular structure lightbox
CAS RN: 40172-65-4

2-AMINO-BETA-NAPHTHOTHIAZOLE

  • Product code: SSC-148198
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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
  • 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 40172-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

40172-65-4 / benzo[e][1,3]benzothiazol-2-amine

Standard CAS: 40172-65-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40172-65-4
Multi CAS
Yes
Molecular Formula
C11H8N2S
Molecular Weight
200.260000
Exact Mass
200.040819
InChI
InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)
InChIKey
FECQXVPRUCCUIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.54
TPSA
38.91

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
3.3
Consensus LogP
3
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-1.79

Drug-likeness / Medicinal Chemistry

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

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