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CAS 640737-72-0 5,7-Diiodo-2,3-dihydrothieno[3,4-b][1,4]dioxine molecular structure lightbox
CAS RN: 640737-72-0

5,7-Diiodo-2,3-dihydrothieno[3,4-b][1,4]dioxine

  • Product code: SSC-173857
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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: ≥97%
  • 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 640737-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

640737-72-0 / 5,7-diiodo-2,3-dihydrothieno[3,4-b][1,4]dioxine

Standard CAS: 640737-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
640737-72-0
Multi CAS
No
Molecular Formula
C6H4I2O2S
Molecular Weight
393.970000
Exact Mass
393.802150
InChI
InChI=1S/C6H4I2O2S/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H2
InChIKey
XNVYOUBEESESHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
60.74
TPSA
18.46

LogP / Solubility

WLOGP
2.73
MLOGP
2.42
XLogP3
2.7
Consensus LogP
2.62
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
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)
-3.19

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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