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CAS 2122-63-6 4-Amino-3-iodobenzoic Acid molecular structure lightbox
CAS RN: 2122-63-6

4-Amino-3-iodobenzoic Acid

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 1g In stock Inquiry
Batchno.20251025 200mg Out of stock Inquiry
Batchno.20260407 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 1g In stock Chengdu Inquiry
Batchno.20250709 25g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250105 5g Out of stock Inquiry
  • Product code: SSC-101360
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2122-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

2122-63-6 / 4-amino-3-iodobenzoic acid

Standard CAS: 2122-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2122-63-6
Multi CAS
No
Molecular Formula
C7H6INO2
Molecular Weight
263.030000
Exact Mass
262.944330
SMILES
C1=CC(=C(C=C1C(=O)O)I)N
InChI
InChI=1S/C7H6INO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey
FPLDDZRJTOXFCB-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
1.4
Consensus LogP
1.45
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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