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CAS 201861-91-8 4,4′-Diiodo-trans-stilbene molecular structure lightbox
CAS RN: 201861-91-8

4,4′-Diiodo-trans-stilbene

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251009 1g In stock Inquiry
Batchno.20250126 200mg In stock Inquiry
Batchno.20250911 5g In stock Inquiry
  • Product code: SSC-095135
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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: ≥97%
  • 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 201861-91-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

201861-91-8 / 1-iodo-4-[(E)-2-(4-iodophenyl)ethenyl]benzene

Standard CAS: 201861-91-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
201861-91-8
Multi CAS
No
Molecular Formula
C14H10I2
Molecular Weight
432.040000
Exact Mass
431.887200
SMILES
C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)I)I
InChI
InChI=1S/C14H10I2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H/b2-1+
InChIKey
BYEYAZGFUKIZPM-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
Molar refractivity
87.25
TPSA
0.0000

LogP / Solubility

WLOGP
5.07
MLOGP
4.49
XLogP3
5.5
Consensus LogP
5.02
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.91
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)
-1.76

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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