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CAS 87-58-1 2,3,4,5-tetraiodopyrrole molecular structure lightbox
CAS RN: 87-58-1

2,3,4,5-tetraiodopyrrole

  • Product code: SSC-196407
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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 87-58-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

87-58-1 / 2,3,4,5-tetraiodo-1H-pyrrole

Standard CAS: 87-58-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87-58-1
Multi CAS
No
Molecular Formula
C4HI4N
Molecular Weight
570.680000
Exact Mass
570.628800
InChI
InChI=1S/C4HI4N/c5-1-2(6)4(8)9-3(1)7/h9H
InChIKey
VJOVAKSZILJDBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
H-bond donors
1
Molar refractivity
71.66
TPSA
15.79

LogP / Solubility

WLOGP
3.43
MLOGP
3.07
XLogP3
3.4
Consensus LogP
3.3
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble

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)
-3.76

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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