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CAS 1602-00-2 44DICHLOROAZOBENZENE molecular structure lightbox
CAS RN: 1602-00-2

44DICHLOROAZOBENZENE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260211 5mg / 25mg / 100mg Confirm by inquiry Hebei, Shanghai Inquiry
  • Product code: starshine_CAS1602-00-2
  • Purity/Analytical Methods: >99.0%
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1602-00-2 / bis(4-chlorophenyl)diazene

Standard CAS: 1602-00-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1602-00-2
Multi CAS
No
Molecular Formula
C12H8Cl2N2
Molecular Weight
251.110000
Exact Mass
250.006454
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2N2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
InChIKey
XHQLXCFUPJSGOE-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
67.08
TPSA
24.72

LogP / Solubility

WLOGP
5.41
MLOGP
4.77
XLogP3
5.3
Consensus LogP
5.16
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.41

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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