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CAS 32446-66-5 N-(2-AMINO-BENZOTHIAZOL-6-YL)-ACETAMIDE molecular structure lightbox
CAS RN: 32446-66-5

N-(2-AMINO-BENZOTHIAZOL-6-YL)-ACETAMIDE

  • Product code: SSC-138029
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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 32446-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

32446-66-5 / 4-(4-cyanobenzoyl)benzonitrile

Standard CAS: 32446-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32446-66-5
Multi CAS
No
Molecular Formula
C15H8N2O
Molecular Weight
232.240000
Exact Mass
232.063663
InChI
InChI=1S/C15H8N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8H
InChIKey
UKOXPTLWNQHMJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
65.75
TPSA
64.65

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
3.1
Consensus LogP
2.7
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.25

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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