[email protected]
CAS 20776-55-0 2-amino-3-iodo-benzoic acid molecular structure lightbox
CAS RN: 20776-55-0

2-amino-3-iodo-benzoic acid

Product Availability

Choose a grade to view its available package options.

10 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250314 10g Out of stock Inquiry
Batchno.20250106 1g In stock Inquiry
Batchno.20260319 250mg In stock Inquiry
Batchno.20251117 25g Out of stock Inquiry
Batchno.20260125 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260226 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260421 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250225 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260303 25g In stock Shanghai, Chengdu Inquiry
Batchno.20260208 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-097760
GET A QUOTE
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, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 20776-55-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

20776-55-0 / 2-amino-3-iodobenzoic acid

Standard CAS: 20776-55-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20776-55-0
Multi CAS
No
Molecular Formula
C7H6INO2
Molecular Weight
263.030000
Exact Mass
262.944330
SMILES
C1=CC(=C(C(=C1)I)N)C(=O)O
InChI
InChI=1S/C7H6INO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
NPQWFVGQIVTULM-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
Consensus LogP
1.65
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

Customers Also Viewed

Get In Touch

Contact Us