![CAS 154825-62-4 2-[4-(4-Methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/154825-62-4.gif)
CAS RN: 154825-62-4
2-[4-(4-Methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250826 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS154825-62-4
- Purity/Analytical Methods: >99.0%
154825-62-4 / 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
Basic Information
CAS
154825-62-4
Multi CAS
No
Molecular Formula
C22H17N3O2
Molecular Weight
355.400000
Exact Mass
355.132077
SMILES
COC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4O
InChI
InChI=1S/C22H17N3O2/c1-27-17-13-11-16(12-14-17)21-23-20(15-7-3-2-4-8-15)24-22(25-21)18-9-5-6-10-19(18)26/h2-14,26H,1H3
InChIKey
VARDNKCBWBOEBW-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
104.35
TPSA
68.13
LogP / Solubility
WLOGP
4.59
MLOGP
4.06
XLogP3
4.6
Consensus LogP
4.42
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
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
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
GHS Hazard Statements
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
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