[email protected]
CAS 1170321-08-0 1-(4-BROMOPHENYL)-4-PHENYLNAPHTHALENE molecular structure lightbox
CAS RN: 1170321-08-0

1-(4-BROMOPHENYL)-4-PHENYLNAPHTHALENE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1170321-08-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1170321-08-0 / 1-(4-bromophenyl)-4-phenylnaphthalene

1-(4-bromophenyl)-4-phenylnaphthalene | MFCD28291917 | SCHEMBL13950667

Standard CAS: 1170321-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1170321-08-0
Multi CAS
No
Molecular Formula
C22H15Br
Molecular Weight
359.300000
Exact Mass
358.035710
SMILES
C1=CC=C(C=C1)C2=CC=C(C3=CC=CC=C32)C4=CC=C(C=C4)Br
InChI
InChI=1S/C22H15Br/c23-18-12-10-17(11-13-18)20-15-14-19(16-6-2-1-3-7-16)21-8-4-5-9-22(20)21/h1-15H
InChIKey
KNRVCICRZJAEAQ-UHFFFAOYSA-N
Synonyms
1-(4-bromophenyl)-4-phenylnaphthalene MFCD28291917 SCHEMBL13950667 SCHEMBL21410399 SCHEMBL30979959

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