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CAS 66688-49-1 1,3-Diiodo-2,2-diMethylpropane molecular structure lightbox
CAS RN: 66688-49-1

1,3-Diiodo-2,2-diMethylpropane

  • Product code: SSC-176382
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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 66688-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

66688-49-1 / 1,3-diiodo-2,2-dimethylpropane

Standard CAS: 66688-49-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66688-49-1
Multi CAS
No
Molecular Formula
C5H10I2
Molecular Weight
323.940000
Exact Mass
323.887200
InChI
InChI=1S/C5H10I2/c1-5(2,3-6)4-7/h3-4H2,1-2H3
InChIKey
GDVIDBDQSYVBSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
51.56
TPSA
0.0000

LogP / Solubility

WLOGP
2.88
MLOGP
2.55
XLogP3
4
Consensus LogP
3.14
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
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
No
Log Kp (skin permeation)
-2.65

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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