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CAS 2260543-73-3 3DPAFIPN molecular structure lightbox
CAS RN: 2260543-73-3

3DPAFIPN

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250409 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250925 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260416 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260131 50mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250610 5g In stock Shanghai Inquiry
  • Product code: SSC-110450
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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: 0.25g
  • 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 2260543-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

2260543-73-3 / 5-fluoro-2,4,6-tris(N-phenylanilino)benzene-1,3-dicarbonitrile

Standard CAS: 2260543-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2260543-73-3
Multi CAS
No
Molecular Formula
C44H30FN5
Molecular Weight
647.700000
Exact Mass
647.248524
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C(C(=C(C(=C3C#N)N(C4=CC=CC=C4)C5=CC=CC=C5)F)N(C6=CC=CC=C6)C7=CC=CC=C7)C#N
InChI
InChI=1S/C44H30FN5/c45-41-43(49(35-23-11-3-12-24-35)36-25-13-4-14-26-36)39(31-46)42(48(33-19-7-1-8-20-33)34-21-9-2-10-22-34)40(32-47)44(41)50(37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30H
InChIKey
GCGRXVMGBHYMDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
42
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
199.88
TPSA
57.3

LogP / Solubility

WLOGP
11.98
MLOGP
10.59
XLogP3
11.2
Consensus LogP
11.26
Log S (ESOL)
-11.43
Class (ESOL)
Insoluble
Log S (Ali)
-13.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.83

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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