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CAS 36044-42-5 1,3-Diiodoazulene molecular structure lightbox
CAS RN: 36044-42-5

1,3-Diiodoazulene

  • Product code: SSC-143139
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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 36044-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

36044-42-5 / 1,3-diiodoazulene

Standard CAS: 36044-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36044-42-5
Multi CAS
No
Molecular Formula
C10H6I2
Molecular Weight
379.960000
Exact Mass
379.855900
InChI
InChI=1S/C10H6I2/c11-9-6-10(12)8-5-3-1-2-4-7(8)9/h1-6H
InChIKey
GELXYHZWBQWZIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Molar refractivity
68.5
TPSA
0.0000

LogP / Solubility

WLOGP
4
MLOGP
3.54
XLogP3
4.2
Consensus LogP
3.91
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.2

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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