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CAS 17352-25-9 3,5-Diiodobenzaldehyde molecular structure lightbox
CAS RN: 17352-25-9

3,5-Diiodobenzaldehyde

  • Product code: SSC-076198
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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: 1g
  • Available purity: ≥95%
  • 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 17352-25-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

17352-25-9 / 3,5-diiodobenzaldehyde

Standard CAS: 17352-25-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17352-25-9
Multi CAS
No
Molecular Formula
C7H4I2O
Molecular Weight
357.910000
Exact Mass
357.835160
SMILES
C1=C(C=C(C=C1I)I)C=O
InChI
InChI=1S/C7H4I2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
InChIKey
WBPOINHGBSDFDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.26
TPSA
17.07

LogP / Solubility

WLOGP
2.71
MLOGP
2.4
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

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

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