CAS RN: 2725-22-6
2,4-Bis(2,4-dimethylphenyl)-6-(2-hydroxy-4-n-octyloxyphenyl)-1,3,5-triazine
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260413 | 100g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250503 | 1kg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250717 | 25g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20260629 | 500g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260627 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTB4399
- Purity/Analytical Methods: >97.0%(N)
2725-22-6 / 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-6-octoxyphenol
Basic Information
CAS
2725-22-6
Multi CAS
No
Molecular Formula
C33H39N3O2
Molecular Weight
509.700000
Exact Mass
509.304228
SMILES
CCCCCCCCOC1=CC=CC(=C1O)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C
InChI
InChI=1S/C33H39N3O2/c1-6-7-8-9-10-11-19-38-29-14-12-13-28(30(29)37)33-35-31(26-17-15-22(2)20-24(26)4)34-32(36-33)27-18-16-23(3)21-25(27)5/h12-18,20-21,37H,6-11,19H2,1-5H3
InChIKey
QXWNYFBWEGRMEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.36
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
1
Molar refractivity
155.62
TPSA
68.13
LogP / Solubility
WLOGP
8.55
MLOGP
7.56
XLogP3
9.5
Consensus LogP
8.54
Log S (ESOL)
-8.13
Class (ESOL)
Insoluble
Log S (Ali)
-9.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.39
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.24
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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