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CAS 189105-78-0 1,8-Diiodoanthracene molecular structure lightbox
CAS RN: 189105-78-0

1,8-Diiodoanthracene

  • Product code: SSC-088214
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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: ≥98%
  • 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 189105-78-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

189105-78-0 / 1,8-diiodoanthracene

Standard CAS: 189105-78-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
189105-78-0
Multi CAS
No
Molecular Formula
C14H8I2
Molecular Weight
430.020000
Exact Mass
429.871550
SMILES
C1=CC2=CC3=C(C=C2C(=C1)I)C(=CC=C3)I
InChI
InChI=1S/C14H8I2/c15-13-5-1-3-9-7-10-4-2-6-14(16)12(10)8-11(9)13/h1-8H
InChIKey
BBKOQZVGDMYPGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
Molar refractivity
86.89
TPSA
0.0000

LogP / Solubility

WLOGP
5.2
MLOGP
4.61
XLogP3
5.7
Consensus LogP
5.17
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.65

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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