[email protected]
CAS 633300-89-7 1,2,4,5-tetrakis(4-cyanophenyl)benzene molecular structure lightbox
CAS RN: 633300-89-7

1,2,4,5-tetrakis(4-cyanophenyl)benzene

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260227 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS633300-89-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

633300-89-7 / 4-[2,4,5-tris(4-cyanophenyl)phenyl]benzonitrile

Standard CAS: 633300-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
633300-89-7
Multi CAS
No
Molecular Formula
C34H18N4
Molecular Weight
482.500000
Exact Mass
482.153147
InChI
InChI=1S/C34H18N4/c35-19-23-1-9-27(10-2-23)31-17-33(29-13-5-25(21-37)6-14-29)34(30-15-7-26(22-38)8-16-30)18-32(31)28-11-3-24(20-36)4-12-28/h1-18H
InChIKey
CGBDVDVRYMXSBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
147.05
TPSA
95.16

LogP / Solubility

WLOGP
7.84
MLOGP
6.93
XLogP3
7.3
Consensus LogP
7.36
Log S (ESOL)
-8.09
Class (ESOL)
Insoluble
Log S (Ali)
-9.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.78
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us