[email protected]
CAS 207612-71-3 1-(4′-bromobiphenyl-4-yl)naphthalene molecular structure lightbox
CAS RN: 207612-71-3

1-(4′-bromobiphenyl-4-yl)naphthalene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS207612-71-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

207612-71-3 / 1-[4-(4-bromophenyl)phenyl]naphthalene

Standard CAS: 207612-71-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207612-71-3
Multi CAS
No
Molecular Formula
C22H15Br
Molecular Weight
359.300000
Exact Mass
358.035710
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C22H15Br/c23-20-14-12-17(13-15-20)16-8-10-19(11-9-16)22-7-3-5-18-4-1-2-6-21(18)22/h1-15H
InChIKey
XCGVNJBBWRPIPZ-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

Customers Also Viewed

Get In Touch

Contact Us