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CAS 20776-54-9 2-AMINO-4-IODOBENZOIC ACID molecular structure lightbox
CAS RN: 20776-54-9

2-AMINO-4-IODOBENZOIC ACID

Product Availability

Choose a grade to view its available package options.

7 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 100g Out of stock Inquiry
Batchno.20250218 10g Out of stock Inquiry
Batchno.20250730 1g In stock Shanghai Inquiry
Batchno.20260115 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260405 250mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
Batchno.20251015 25g Out of stock Inquiry
Batchno.20260213 5g Out of stock Inquiry
  • Product code: SSC-097759
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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, 0.1g, 0.25g, 5g, 10g, 25g
  • 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 20776-54-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 1 In Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry

20776-54-9 / 2-amino-4-iodobenzoic acid

Standard CAS: 20776-54-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20776-54-9
Multi CAS
No
Molecular Formula
C7H6INO2
Molecular Weight
263.030000
Exact Mass
262.944330
SMILES
C1=CC(=C(C=C1I)N)C(=O)O
InChI
InChI=1S/C7H6INO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
InChIKey
KWIIUIVETQQQHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.53
TPSA
63.32

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
2.1
Consensus LogP
1.69
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-3.21

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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