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CAS 610-30-0 2,4-DINITROBENZOIC ACID molecular structure lightbox
CAS RN: 610-30-0

2,4-DINITROBENZOIC ACID

  • Product code: SSC-169714
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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: 0.25g
  • 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 610-30-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry

610-30-0 / 2,4-dinitrobenzoic acid

Standard CAS: 610-30-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
610-30-0
Multi CAS
Yes
Molecular Formula
C7H4N2O6
Molecular Weight
212.120000
Exact Mass
212.006936
InChI
InChI=1S/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11)
InChIKey
ZIIGSRYPZWDGBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.71
TPSA
123.58

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.3
Consensus LogP
1.19
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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