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CAS 618-88-2 5-Nitroisophthalic Acid molecular structure lightbox
CAS RN: 618-88-2

5-Nitroisophthalic Acid

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 100g In stock Inquiry
Batchno.20250410 2.5kg In stock Inquiry
Batchno.20251225 25g In stock Inquiry
Batchno.20250422 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250812 100g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260311 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260629 1kg In stock Shenzhen Inquiry
Batchno.20260312 2.5kg In stock Shandong Inquiry
Batchno.20260206 500g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250515 500g In stock Shanghai Inquiry
Batchno.20250209 5kg In stock Shanghai Inquiry
  • Product code: SSC-170763
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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: 25g, 100g, 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 618-88-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 5 In Stock Shenzhen Inquiry
100g ≥97% 1 In Stock Beijing Inquiry
500g ≥97% 0 Out of Stock Hong Kong Inquiry

618-88-2 / 5-nitrobenzene-1,3-dicarboxylic acid

Standard CAS: 618-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
618-88-2
Multi CAS
No
Molecular Formula
C8H5NO6
Molecular Weight
211.130000
Exact Mass
211.011687
InChI
InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChIKey
NBDAHKQJXVLAID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.02
TPSA
117.74

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
0.8
Consensus LogP
0.89
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-3.3

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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