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CAS 61717-82-6 2-Iodoxybenzoic Acid (stabilized with Benzoic Acid + Isophthalic Acid) molecular structure lightbox
CAS RN: 61717-82-6

2-Iodoxybenzoic Acid (stabilized with Benzoic Acid + Isophthalic Acid)

  • Product code: SSC-170672
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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, 10g, 25g, 100g
  • Available purity: 44.00-50.00%
  • 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 61717-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 44.00-50.00% 0 Out of Stock Hong Kong Inquiry
10g 44.00-50.00% 0 Out of Stock Beijing Inquiry
25g 44.00-50.00% 0 Out of Stock Hong Kong Inquiry
100g 44.00-50.00% 0 Out of Stock Hong Kong Inquiry

61717-82-6 / 2-iodylbenzoic acid

Standard CAS: 61717-82-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61717-82-6
Multi CAS
Yes
Molecular Formula
C7H5IO4
Molecular Weight
280.020000
Exact Mass
279.923260
InChI
InChI=1S/C7H5IO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChIKey
FIYYMXYOBLWYQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.49
TPSA
71.44

LogP / Solubility

WLOGP
1.75
MLOGP
1.55
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

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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