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CAS 16322-13-7 2-[3,5-di-(naphthalen-2-yl)-phenyl]-naphthalen molecular structure lightbox
CAS RN: 16322-13-7

2-[3,5-di-(naphthalen-2-yl)-phenyl]-naphthalen

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250119 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LIND887488
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16322-13-7 / 2-(3,5-dinaphthalen-2-ylphenyl)naphthalene

Standard CAS: 16322-13-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16322-13-7
Multi CAS
No
Molecular Formula
C36H24
Molecular Weight
456.600000
Exact Mass
456.187801
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC(=C3)C4=CC5=CC=CC=C5C=C4)C6=CC7=CC=CC=C7C=C6
InChI
InChI=1S/C36H24/c1-4-10-28-19-31(16-13-25(28)7-1)34-22-35(32-17-14-26-8-2-5-11-29(26)20-32)24-36(23-34)33-18-15-27-9-3-6-12-30(27)21-33/h1-24H
InChIKey
AWIOMAWDKDFGDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
36
Rotatable bonds
3
Molar refractivity
155.27
TPSA
0.0000

LogP / Solubility

WLOGP
10.15
MLOGP
8.96
XLogP3
10.6
Consensus LogP
9.9
Log S (ESOL)
-9.61
Class (ESOL)
Insoluble
Log S (Ali)
-10.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.41
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)
1.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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