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CAS 20691-72-9 4-Iodo-2-nitroaniline molecular structure lightbox
CAS RN: 20691-72-9

4-Iodo-2-nitroaniline

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250604 100g In stock Shanghai Inquiry
Batchno.20260415 10g In stock Shanghai, Wuhan Inquiry
Batchno.20260524 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250712 25g In stock Shanghai Inquiry
Batchno.20251001 500g In stock Shanghai Inquiry
Batchno.20250814 5g In stock Shanghai Inquiry
Batchno.20250509 5g In stock Shanghai Inquiry
  • Product code: SSC-097435
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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, 100g, 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 20691-72-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 5 In Stock Hong Kong Inquiry
25g ≥97% 5 In Stock Hong Kong Inquiry
100g ≥97% 4 In Stock Shanghai Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry

20691-72-9 / 4-iodo-2-nitroaniline

Standard CAS: 20691-72-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20691-72-9
Multi CAS
No
Molecular Formula
C6H5IN2O2
Molecular Weight
264.020000
Exact Mass
263.939570
SMILES
C1=CC(=C(C=C1I)[N+](=O)[O-])N
InChI
InChI=1S/C6H5IN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChIKey
QVCRSYXVWPPBFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.23
TPSA
69.16

LogP / Solubility

WLOGP
1.78
MLOGP
1.58
XLogP3
2.3
Consensus LogP
1.89
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

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

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