[email protected]
CAS 1911641-83-2 2-(biphenyl-4-yl)-4-(4-bromophenyl)-6-phenyl-1,3,5-triazine molecular structure lightbox
CAS RN: 1911641-83-2

2-(biphenyl-4-yl)-4-(4-bromophenyl)-6-phenyl-1,3,5-triazine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 100g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1911641-83-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1911641-83-2 / 2-(4-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

Standard CAS: 1911641-83-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1911641-83-2
Multi CAS
No
Molecular Formula
C27H18BrN3
Molecular Weight
464.400000
Exact Mass
463.068410
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C27H18BrN3/c28-24-17-15-23(16-18-24)27-30-25(21-9-5-2-6-10-21)29-26(31-27)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18H
InChIKey
XTSYSYAUVJMZOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
129.27
TPSA
38.67

LogP / Solubility

WLOGP
7.3
MLOGP
6.46
XLogP3
7.3
Consensus LogP
7.02
Log S (ESOL)
-7.77
Class (ESOL)
Insoluble
Log S (Ali)
-8.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.22
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)
-0.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us