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CAS 10342-64-0 1-(4-Nitro-phenyl)-ethanone oxime molecular structure lightbox
CAS RN: 10342-64-0

1-(4-Nitro-phenyl)-ethanone oxime

  • Product code: SSC-004947
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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 10342-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

10342-64-0 / N-[1-(4-nitrophenyl)ethylidene]hydroxylamine

Ethanone, 1-(4-nitrophenyl)-, oxime | DTXSID80352271 | RefChem:341235

Standard CAS: 10342-64-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10342-64-0
Multi CAS
Yes
Molecular Formula
C8H8N2O3
Molecular Weight
180.160000
Exact Mass
180.053492
SMILES
CC(=NO)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O3/c1-6(9-11)7-2-4-8(5-3-7)10(12)13/h2-5,11H,1H3
InChIKey
GFNBZVFYQPTWRK-UHFFFAOYSA-N
Synonyms
Ethanone, 1-(4-nitrophenyl)-, oxime DTXSID80352271 RefChem:341235 DTXCID50303336 N-[1-(4-nitrophenyl)ethylidene]hydroxylamine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.09
TPSA
75.73

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.72
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

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

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