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CAS 1883265-32-4 1,3,5-Triazine,2-chloro-4-(1-dibenzofuranyl)-6-phenyl- molecular structure lightbox
CAS RN: 1883265-32-4

1,3,5-Triazine,2-chloro-4-(1-dibenzofuranyl)-6-phenyl-

  • Product code: SSC-087589
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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: 5g
  • 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 1883265-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1883265-32-4 / 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine

Standard CAS: 1883265-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1883265-32-4
Multi CAS
No
Molecular Formula
C21H12ClN3O
Molecular Weight
357.800000
Exact Mass
357.066890
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=C4C5=CC=CC=C5OC4=CC=C3
InChI
InChI=1S/C21H12ClN3O/c22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)15-10-6-12-17-18(15)14-9-4-5-11-16(14)26-17/h1-12H
InChIKey
PJJAZVKQILCJTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
25
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
102.99
TPSA
51.81

LogP / Solubility

WLOGP
5.76
MLOGP
5.09
XLogP3
6
Consensus LogP
5.62
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-6.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
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)
-0.81

Drug-likeness / Medicinal Chemistry

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

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