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CAS 319472-78-1 3,6-DIIODO (1H)INDAZOLE molecular structure lightbox
CAS RN: 319472-78-1

3,6-DIIODO (1H)INDAZOLE

  • Product code: SSC-137395
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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 319472-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

319472-78-1 / 3,6-diiodo-2H-indazole

Standard CAS: 319472-78-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
319472-78-1
Multi CAS
No
Molecular Formula
C7H4I2N2
Molecular Weight
369.930000
Exact Mass
369.846390
InChI
InChI=1S/C7H4I2N2/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H,10,11)
InChIKey
XHVJIWVECAQYNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.53
TPSA
28.68

LogP / Solubility

WLOGP
2.77
MLOGP
2.46
XLogP3
2.9
Consensus LogP
2.71
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.01

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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