CAS RN: 425629-22-7
2,4,6-Tris(4-ethynylphenyl)-1,3,5-triazine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250625 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20251001 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250503 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250527 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS425629-22-7
- Purity/Analytical Methods: >99.0%
425629-22-7 / 2,4,6-tris(4-ethynylphenyl)-1,3,5-triazine
Basic Information
CAS
425629-22-7
Multi CAS
No
Molecular Formula
C27H15N3
Molecular Weight
381.400000
Exact Mass
381.126597
InChI
InChI=1S/C27H15N3/c1-4-19-7-13-22(14-8-19)25-28-26(23-15-9-20(5-2)10-16-23)30-27(29-25)24-17-11-21(6-3)12-18-24/h1-3,7-18H
InChIKey
SSAOTGYMADTRMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
119.94
TPSA
38.67
LogP / Solubility
WLOGP
4.82
MLOGP
4.26
XLogP3
5.7
Consensus LogP
4.93
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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