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CAS 62156-75-6 2-broMo-6-(naphthalen-2-yl)naphthalene molecular structure lightbox
CAS RN: 62156-75-6

2-broMo-6-(naphthalen-2-yl)naphthalene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS62156-75-6
  • Purity/Analytical Methods: >99.0%
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62156-75-6 / 2-bromo-6-naphthalen-2-ylnaphthalene

Standard CAS: 62156-75-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62156-75-6
Multi CAS
No
Molecular Formula
C20H13BR
Molecular Weight
333.200000
Exact Mass
332.020060
InChI
InChI=1S/C20H13Br/c21-20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H
InChIKey
BPSRUMBGSVISHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
20
Rotatable bonds
1
Molar refractivity
94.59
TPSA
0.0000

LogP / Solubility

WLOGP
6.42
MLOGP
5.67
XLogP3
6.7
Consensus LogP
6.26
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
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)
-0.19

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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