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CAS 57744-67-9 3,4-ETHYLENEDIOXYIODOBENZENE molecular structure lightbox
CAS RN: 57744-67-9

3,4-ETHYLENEDIOXYIODOBENZENE

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260128 1g / 5g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250830 1g Out of stock Inquiry
Batchno.20250322 25g In stock Wuhan, Chengdu Inquiry
Batchno.20251120 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-165929
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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: ＞97%
  • 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 57744-67-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

57744-67-9 / 6-iodo-2,3-dihydro-1,4-benzodioxine

Standard CAS: 57744-67-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57744-67-9
Multi CAS
No
Molecular Formula
C8H7IO2
Molecular Weight
262.040000
Exact Mass
261.949080
InChI
InChI=1S/C8H7IO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2
InChIKey
HZTMYTXWFHBHDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
50.15
TPSA
18.46

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2.5
Consensus LogP
2.13
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
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)
-2.85

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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