![CAS 1447947-87-6 2,4,6-Tris[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1447947-87-6.gif)
CAS RN: 1447947-87-6
2,4,6-Tris[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250318 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251205 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20251115 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250603 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1447947-87-6
- Purity/Analytical Methods: >99.0%
1447947-87-6 / 2,4,6-tris[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
Basic Information
CAS
1447947-87-6
Multi CAS
No
Molecular Formula
C39H48B3N3O6
Molecular Weight
687.300000
Exact Mass
687.382227
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)B5OC(C(O5)(C)C)(C)C)C6=CC=C(C=C6)B7OC(C(O7)(C)C)(C)C
InChI
InChI=1S/C39H48B3N3O6/c1-34(2)35(3,4)47-40(46-34)28-19-13-25(14-20-28)31-43-32(26-15-21-29(22-16-26)41-48-36(5,6)37(7,8)49-41)45-33(44-31)27-17-23-30(24-18-27)42-50-38(9,10)39(11,12)51-42/h13-24H,1-12H3
InChIKey
QHDOUYVNUGDLTI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
24
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
9
Molar refractivity
203.28
TPSA
94.05
LogP / Solubility
WLOGP
5.77
MLOGP
5.14
XLogP3
5.77
Consensus LogP
5.56
Log S (ESOL)
-7.69
Class (ESOL)
Insoluble
Log S (Ali)
-9.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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![CAS 1447963-74-7 Palladium[2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC][2′-(diphenylphosphino-κP)-N2,N2,N6,N6-tetramethyl[1,1′-biphenyl]-2,6-diamine](methanesulfonato-κO)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1447963-74-7.gif)
