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CAS 15374-45-5 1,2-Di(1-naphthyl)ethane molecular structure lightbox
CAS RN: 15374-45-5

1,2-Di(1-naphthyl)ethane

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260224 1g In stock Shanghai Inquiry
Batchno.20250116 250mg In stock Hebei Inquiry
Batchno.20250716 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260330 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: ICTD4371
  • Purity/Analytical Methods: >94.0%(GC)
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15374-45-5 / 1-(2-naphthalen-1-ylethyl)naphthalene

Standard CAS: 15374-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15374-45-5
Multi CAS
No
Molecular Formula
C22H18
Molecular Weight
282.400000
Exact Mass
282.140851
SMILES
C1=CC=C2C(=C1)C=CC=C2CCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H18/c1-3-13-21-17(7-1)9-5-11-19(21)15-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14H,15-16H2
InChIKey
OJGSITVFPMSVGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
20
Fraction Csp3
0.09
Rotatable bonds
3
Molar refractivity
95.3
TPSA
0.0000

LogP / Solubility

WLOGP
5.78
MLOGP
5.09
XLogP3
6.6
Consensus LogP
5.82
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.34

Drug-likeness / Medicinal Chemistry

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

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