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CAS 696-41-3 3-Iodobenzaldehyde molecular structure lightbox
CAS RN: 696-41-3

3-Iodobenzaldehyde

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 1ml In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250114 5ml In stock Shandong Inquiry
  • Product code: SSC-179295
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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, 5g, 10g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 696-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry
500g >97% 0 Out of Stock Beijing Inquiry

696-41-3 / 3-iodobenzaldehyde

Standard CAS: 696-41-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
696-41-3
Multi CAS
Yes
Molecular Formula
C7H5IO
Molecular Weight
232.020000
Exact Mass
231.938510
InChI
InChI=1S/C7H5IO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChIKey
RZODAQZAFOBFLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.55
TPSA
17.07

LogP / Solubility

WLOGP
2.1
MLOGP
1.86
XLogP3
2.2
Consensus LogP
2.05
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.64

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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