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CAS 1157-84-2 Benzaldehyde 2,4-Dinitrophenylhydrazone molecular structure lightbox
CAS RN: 1157-84-2

Benzaldehyde 2,4-Dinitrophenylhydrazone

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 1g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260224 200mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-015483
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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 1157-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1157-84-2 / N-[(E)-benzylideneamino]-2,4-dinitroaniline

Benzaldehyde, 2-(2,4-dinitrophenyl)hydrazone | Benzaldehyde 2,4-Dinitrophenylhydrazone | Benzaldehyde, (2,4-dinitrophenyl)hydrazone

Standard CAS: 1157-84-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1157-84-2
Multi CAS
Yes
Molecular Formula
C13H10N4O4
Molecular Weight
286.240000
Exact Mass
286.070205
SMILES
C1=CC=C(C=C1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O4/c18-16(19)11-6-7-12(13(8-11)17(20)21)15-14-9-10-4-2-1-3-5-10/h1-9,15H/b14-9+
InChIKey
DZPRPFUXOZTWAJ-NTEUORMPSA-N
Synonyms
Benzaldehyde, 2-(2,4-dinitrophenyl)hydrazone Benzaldehyde 2,4-Dinitrophenylhydrazone Benzaldehyde, (2,4-dinitrophenyl)hydrazone MFCD00156353 Benzaldehyde-2,4-dinitrophenylhydrazone

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
77.41
TPSA
110.67

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
2.5
Consensus LogP
2.69
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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