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CAS 864866-44-4 7-Iodo-[1,2,4]triazolo[4,3-a]pyridine molecular structure lightbox
CAS RN: 864866-44-4

7-Iodo-[1,2,4]triazolo[4,3-a]pyridine

  • Product code: SSC-195594
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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 864866-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

864866-44-4 / 7-iodo-[1,2,4]triazolo[4,3-a]pyridine

Standard CAS: 864866-44-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
864866-44-4
Multi CAS
No
Molecular Formula
C6H4In3
Molecular Weight
245.020000
Exact Mass
244.944990
InChI
InChI=1S/C6H4IN3/c7-5-1-2-10-4-8-9-6(10)3-5/h1-4H
InChIKey
KQTSOSULAYFHBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
45.7
TPSA
30.19

LogP / Solubility

WLOGP
1.33
MLOGP
1.18
XLogP3
1.8
Consensus LogP
1.44
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

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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