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CAS 69626-75-1 2-Iodo-benzofuran molecular structure lightbox
CAS RN: 69626-75-1

2-Iodo-benzofuran

  • Product code: SSC-179338
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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: 0.25g
  • 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 69626-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

69626-75-1 / 2-iodo-1-benzofuran

Standard CAS: 69626-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69626-75-1
Multi CAS
No
Molecular Formula
C8H5IO
Molecular Weight
244.030000
Exact Mass
243.938510
InChI
InChI=1S/C8H5IO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKey
WIBOBANRAWSQLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
1
Molar refractivity
48.93
TPSA
13.14

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
3
Consensus LogP
2.91
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

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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