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CAS 6052-15-9 4,4′-ethyne-1,2-diyldianiline molecular structure lightbox
CAS RN: 6052-15-9

4,4′-ethyne-1,2-diyldianiline

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 100mg In stock Shanghai, Chongqing Inquiry
Batchno.20250704 1g In stock Shanghai, Shandong Inquiry
Batchno.20250623 500mg In stock Shanghai, Hebei Inquiry
Batchno.20250106 5g In stock Shanghai Inquiry
  • Product code: LINE887452
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6052-15-9 / 4-[2-(4-aminophenyl)ethynyl]aniline

Standard CAS: 6052-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6052-15-9
Multi CAS
No
Molecular Formula
C14H12N2
Molecular Weight
208.260000
Exact Mass
208.100048
InChI
InChI=1S/C14H12N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,15-16H2
InChIKey
WAUKJWLKPXRNKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.69
TPSA
52.04

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
2.6
Consensus LogP
2.28
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

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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