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CAS 1601-97-4 Diazene, bis(4-iodophenyl)- molecular structure lightbox
CAS RN: 1601-97-4

Diazene, bis(4-iodophenyl)-

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260114 100mg In stock Shanghai Inquiry
Batchno.20251016 1g In stock Tianjin, Chengdu Inquiry
Batchno.20250406 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS1601-97-4
  • Purity/Analytical Methods: >99.0%
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1601-97-4 / bis(4-iodophenyl)diazene

Standard CAS: 1601-97-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1601-97-4
Multi CAS
No
Molecular Formula
C12H8I2N2
Molecular Weight
434.010000
Exact Mass
433.877690
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)I)I
InChI
InChI=1S/C12H8I2N2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
InChIKey
FHSRQGXDVXFRHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
82.49
TPSA
24.72

LogP / Solubility

WLOGP
5.31
MLOGP
4.7
XLogP3
5
Consensus LogP
5
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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