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CAS 20923-20-0 2-Phenylhydrazono-2-cyanoacetamide molecular structure lightbox
CAS RN: 20923-20-0

2-Phenylhydrazono-2-cyanoacetamide

  • Product code: SSC-098942
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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 20923-20-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

20923-20-0 / (1Z)-2-amino-N-anilino-2-oxoethanimidoyl cyanide

Standard CAS: 20923-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20923-20-0
Multi CAS
No
Molecular Formula
C9H8N4O
Molecular Weight
188.190000
Exact Mass
188.069811
SMILES
C1=CC=C(C=C1)N/N=C(/C#N)\C(=O)N
InChI
InChI=1S/C9H8N4O/c10-6-8(9(11)14)13-12-7-4-2-1-3-5-7/h1-5,12H,(H2,11,14)/b13-8-
InChIKey
RCCUREMCNYCTHN-JYRVWZFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.31
TPSA
91.27

LogP / Solubility

WLOGP
0.46
MLOGP
0.41
XLogP3
1.6
Consensus LogP
0.82
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54

Drug-likeness / Medicinal Chemistry

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

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