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CAS 1642848-97-2 2-(1-Bromonaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine molecular structure lightbox
CAS RN: 1642848-97-2

2-(1-Bromonaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine

  • Product code: SSC-071704
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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: ＞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 1642848-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1642848-97-2 / 2-(1-bromonaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine

Standard CAS: 1642848-97-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1642848-97-2
Multi CAS
No
Molecular Formula
C25H16BrN3
Molecular Weight
438.300000
Exact Mass
437.052760
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C(C4=CC=CC=C4C=C3)Br)C5=CC=CC=C5
InChI
InChI=1S/C25H16BrN3/c26-22-20-14-8-7-9-17(20)15-16-21(22)25-28-23(18-10-3-1-4-11-18)27-24(29-25)19-12-5-2-6-13-19/h1-16H
InChIKey
GSOFUHOPEHYQGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
28
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
121.34
TPSA
38.67

LogP / Solubility

WLOGP
6.79
MLOGP
6
XLogP3
6.9
Consensus LogP
6.56
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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