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CAS 24299-68-1 1-(3-chlorophenyl)-8-phenyl-Naphthalene molecular structure lightbox
CAS RN: 24299-68-1

1-(3-chlorophenyl)-8-phenyl-Naphthalene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260626 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS24299-68-1
  • Purity/Analytical Methods: >99.0%
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24299-68-1 / 1-(3-chlorophenyl)-8-phenylnaphthalene

Standard CAS: 24299-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24299-68-1
Multi CAS
No
Molecular Formula
C22H15Cl
Molecular Weight
314.800000
Exact Mass
314.086228
SMILES
C1=CC=C(C=C1)C2=CC=CC3=C2C(=CC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H15Cl/c23-19-12-4-11-18(15-19)21-14-6-10-17-9-5-13-20(22(17)21)16-7-2-1-3-8-16/h1-15H
InChIKey
GAZZNMMXCAXVSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
22
Rotatable bonds
2
Molar refractivity
99.83
TPSA
0.0000

LogP / Solubility

WLOGP
6.83
MLOGP
6.02
XLogP3
7.5
Consensus LogP
6.78
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
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
No
Log Kp (skin permeation)
0.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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