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CAS 924860-60-6 (1Z)-2-(1H-BENZIMIDAZOL-2-YL)-1-THIEN-2-YLETHANONE OXIME molecular structure lightbox
CAS RN: 924860-60-6

(1Z)-2-(1H-BENZIMIDAZOL-2-YL)-1-THIEN-2-YLETHANONE OXIME

  • Product code: SSC-206153
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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: ≥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 924860-60-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

924860-60-6 / (NZ)-N-[2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethylidene]hydroxylamine

Standard CAS: 924860-60-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
924860-60-6
Multi CAS
Yes
Molecular Formula
C13H11N3OS
Molecular Weight
257.310000
Exact Mass
257.062283
InChI
InChI=1S/C13H11N3OS/c17-16-11(12-6-3-7-18-12)8-13-14-9-4-1-2-5-10(9)15-13/h1-7,17H,8H2,(H,14,15)/b16-11-
InChIKey
RNXDQPRNNRNWSG-WJDWOHSUSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.44
TPSA
61.27

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
3.1
Consensus LogP
2.95
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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