CAS RN: 2225834-22-8
3,3′,3”-(1,3,5-triazine-2,4,6-triyl)triphenol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250515 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2225834-22-8
- Purity/Analytical Methods: >99.0%
2225834-22-8 / 3-[4,6-bis(3-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
Basic Information
CAS
2225834-22-8
Multi CAS
No
Molecular Formula
C21H15N3O3
Molecular Weight
357.400000
Exact Mass
357.111341
SMILES
C1=CC(=CC(=C1)O)C2=NC(=NC(=N2)C3=CC(=CC=C3)O)C4=CC(=CC=C4)O
InChI
InChI=1S/C21H15N3O3/c25-16-7-1-4-13(10-16)19-22-20(14-5-2-8-17(26)11-14)24-21(23-19)15-6-3-9-18(27)12-15/h1-12,25-27H
InChIKey
VNIZEYVBKJDTFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
3
Molar refractivity
101.13
TPSA
99.36
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
3.9
Consensus LogP
3.81
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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