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CAS 90348-28-0 4,5-DINITROPHTHALIC ACID molecular structure lightbox
CAS RN: 90348-28-0

4,5-DINITROPHTHALIC ACID

  • Product code: SSC-202820
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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: 0.05g, 0.25g, 1g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 90348-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Beijing Inquiry

90348-28-0 / 4,5-dinitrophthalic acid

Standard CAS: 90348-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90348-28-0
Multi CAS
No
Molecular Formula
C8H4N2O8
Molecular Weight
256.130000
Exact Mass
255.996765
InChI
InChI=1S/C8H4N2O8/c11-7(12)3-1-5(9(15)16)6(10(17)18)2-4(3)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey
MJJVUJBKOFXFJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
53.67
TPSA
160.88

LogP / Solubility

WLOGP
0.9
MLOGP
0.8
XLogP3
0.6
Consensus LogP
0.77
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-3.64

Drug-likeness / Medicinal Chemistry

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

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