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CAS 124643-45-4 2-(p-tolylethynyl)aniline molecular structure lightbox
CAS RN: 124643-45-4

2-(p-tolylethynyl)aniline

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250922 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20260626 10g In stock Shenzhen Inquiry
Batchno.20250107 1g In stock Shanghai Inquiry
Batchno.20251005 250mg In stock Shanghai Inquiry
Batchno.20260121 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-028651
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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: ≥95%
  • 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 124643-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

124643-45-4 / 2-[2-(4-methylphenyl)ethynyl]aniline

Standard CAS: 124643-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124643-45-4
Multi CAS
No
Molecular Formula
C15H13N
Molecular Weight
207.270000
Exact Mass
207.104799
SMILES
CC1=CC=C(C=C1)C#CC2=CC=CC=C2N
InChI
InChI=1S/C15H13N/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16/h2-9H,16H2,1H3
InChIKey
BMZWJMXJVGEQGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.01
TPSA
26.02

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
3.6
Consensus LogP
3.07
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-1.87

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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