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CAS 528-75-6 2,4-Dinitrobenzaldehyde molecular structure lightbox
CAS RN: 528-75-6

2,4-Dinitrobenzaldehyde

  • Product code: SSC-159941
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 528-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

528-75-6 / 2,4-dinitrobenzaldehyde

Standard CAS: 528-75-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
528-75-6
Multi CAS
Yes
Molecular Formula
C7H4N2O5
Molecular Weight
196.120000
Exact Mass
196.012021
InChI
InChI=1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-4H
InChIKey
ZILXIZUBLXVYPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
45.14
TPSA
103.35

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.6
Consensus LogP
1.36
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-2.98

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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