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CAS 879127-68-1 4-Fluoro-3,5-diiodobenzaldehyde molecular structure lightbox
CAS RN: 879127-68-1

4-Fluoro-3,5-diiodobenzaldehyde

  • Product code: SSC-198283
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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 879127-68-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

879127-68-1 / 4-fluoro-3,5-diiodobenzaldehyde

Standard CAS: 879127-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
879127-68-1
Multi CAS
No
Molecular Formula
C7FH3I2O
Molecular Weight
375.900000
Exact Mass
375.825740
InChI
InChI=1S/C7H3FI2O/c8-7-5(9)1-4(3-11)2-6(7)10/h1-3H
InChIKey
QOHZTGBAXWWHTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.22
TPSA
17.07

LogP / Solubility

WLOGP
2.85
MLOGP
2.53
XLogP3
2.8
Consensus LogP
2.73
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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)
-2.99

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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