[email protected]
CAS 2027486-17-3 1,3,5-Trimethyl-2,4,6-Tris(4-pyridyl)benzene molecular structure lightbox
CAS RN: 2027486-17-3

1,3,5-Trimethyl-2,4,6-Tris(4-pyridyl)benzene

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250714 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260316 1g In stock Shanghai Inquiry
Batchno.20250927 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260217 5g Out of stock Inquiry
  • Product code: LINT887151
GET A QUOTE

2027486-17-3 / 4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine

Standard CAS: 2027486-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2027486-17-3
Multi CAS
No
Molecular Formula
C24H21N3
Molecular Weight
351.400000
Exact Mass
351.173548
SMILES
CC1=C(C(=C(C(=C1C2=CC=NC=C2)C)C3=CC=NC=C3)C)C4=CC=NC=C4
InChI
InChI=1S/C24H21N3/c1-16-22(19-4-10-25-11-5-19)17(2)24(21-8-14-27-15-9-21)18(3)23(16)20-6-12-26-13-7-20/h4-15H,1-3H3
InChIKey
VPXMOBBDEOKAOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
110.35
TPSA
38.67

LogP / Solubility

WLOGP
5.8
MLOGP
5.12
XLogP3
4.7
Consensus LogP
5.21
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
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)
-0.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us