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CAS 53844-98-7 2,4-Dihydroxy-5-nitrobenzaldehyde molecular structure lightbox
CAS RN: 53844-98-7

2,4-Dihydroxy-5-nitrobenzaldehyde

  • Product code: SSC-161252
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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: 5g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 53844-98-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 1 In Stock Shanghai Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

53844-98-7 / 2,4-dihydroxy-5-nitrobenzaldehyde

Standard CAS: 53844-98-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53844-98-7
Multi CAS
Yes
Molecular Formula
C7H5NO5
Molecular Weight
183.120000
Exact Mass
183.016772
InChI
InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)2-6(4)10/h1-3,10-11H
InChIKey
MWDICCJVJOMHSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
41.81
TPSA
100.67

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
1.6
Consensus LogP
1.05
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-3.26

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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