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CAS 24613-66-9 1,11-DIIODOUNDECANE molecular structure lightbox
CAS RN: 24613-66-9

1,11-DIIODOUNDECANE

  • Product code: SSC-119497
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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: ≥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 24613-66-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

24613-66-9 / 1,11-diiodoundecane

Standard CAS: 24613-66-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24613-66-9
Multi CAS
No
Molecular Formula
C11H22I2
Molecular Weight
408.100000
Exact Mass
407.981100
SMILES
C(CCCCCI)CCCCCI
InChI
InChI=1S/C11H22I2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
InChIKey
WLXPSODYNNSNEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
10
Molar refractivity
79.33
TPSA
0.0000

LogP / Solubility

WLOGP
5.37
MLOGP
4.75
XLogP3
7.4
Consensus LogP
5.84
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.97
Class (SILICOS-IT)
Insoluble

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)
-1.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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