![CAS 2757621-34-2 1-(2′-Bromo-[1,1′-biphenyl]-4-yl)naphthalene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757621-34-2.gif)
CAS RN: 2757621-34-2
1-(2′-Bromo-[1,1′-biphenyl]-4-yl)naphthalene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250117 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2757621-34-2
- Purity/Analytical Methods: >99.0%
2757621-34-2 / 1-[4-(2-bromophenyl)phenyl]naphthalene
Basic Information
CAS
2757621-34-2
Multi CAS
No
Molecular Formula
C22H15BR
Molecular Weight
359.300000
Exact Mass
358.035710
InChI
InChI=1S/C22H15Br/c23-22-11-4-3-9-21(22)18-14-12-17(13-15-18)20-10-5-7-16-6-1-2-8-19(16)20/h1-15H
InChIKey
YTEQRXDDWNENOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
22
Rotatable bonds
2
Molar refractivity
102.52
TPSA
0.0000
LogP / Solubility
WLOGP
6.94
MLOGP
6.12
XLogP3
7.1
Consensus LogP
6.72
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.99
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)
0.01
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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