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CAS 76179-43-6 1,2-DIAMINO-4,5-DIIODOBENZENE molecular structure lightbox
CAS RN: 76179-43-6

1,2-DIAMINO-4,5-DIIODOBENZENE

  • Product code: SSC-185620
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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 76179-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

76179-43-6 / 4,5-diiodobenzene-1,2-diamine

Standard CAS: 76179-43-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76179-43-6
Multi CAS
No
Molecular Formula
C6H6I2N2
Molecular Weight
359.930000
Exact Mass
359.862040
InChI
InChI=1S/C6H6I2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
InChIKey
DIBFUNSINNCILZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.7
TPSA
52.04

LogP / Solubility

WLOGP
2.06
MLOGP
1.83
XLogP3
1.9
Consensus LogP
1.93
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

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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