[email protected]
CAS 352196-01-1 1,3,5-Triazine, 2,4,6-tris[3-(1H-pyrazol-1-yl)phenyl]- molecular structure lightbox
CAS RN: 352196-01-1

1,3,5-Triazine, 2,4,6-tris[3-(1H-pyrazol-1-yl)phenyl]-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS352196-01-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

352196-01-1 / 2,4,6-tris(3-pyrazol-1-ylphenyl)-1,3,5-triazine

Standard CAS: 352196-01-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352196-01-1
Multi CAS
No
Molecular Formula
C30H21N9
Molecular Weight
507.500000
Exact Mass
507.191992
InChI
InChI=1S/C30H21N9/c1-7-22(19-25(10-1)37-16-4-13-31-37)28-34-29(23-8-2-11-26(20-23)38-17-5-14-32-38)36-30(35-28)24-9-3-12-27(21-24)39-18-6-15-33-39/h1-21H
InChIKey
NZWMBNNEHOHXAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
39
Rotatable bonds
6
H-bond acceptors
9
Molar refractivity
147.5
TPSA
92.13

LogP / Solubility

WLOGP
5.43
MLOGP
4.82
XLogP3
4.9
Consensus LogP
5.05
Log S (ESOL)
-6.75
Class (ESOL)
Insoluble
Log S (Ali)
-7.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us