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CAS 17090-15-2 3-nitro-N-acrylphenylamine molecular structure lightbox
CAS RN: 17090-15-2

3-nitro-N-acrylphenylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250603 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-075286
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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: 10g
  • 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 17090-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞95% 0 Out of Stock Shanghai Inquiry

17090-15-2 / N-(3-nitrophenyl)prop-2-enamide

Standard CAS: 17090-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17090-15-2
Multi CAS
No
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
SMILES
C=CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O3/c1-2-9(12)10-7-4-3-5-8(6-7)11(13)14/h2-6H,1H2,(H,10,12)
InChIKey
PJASPDPXLKIZHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.92
TPSA
72.24

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
2.1
Consensus LogP
1.78
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.67

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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