![CAS 1696425-27-0 1,3,5-Triazine, 2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1696425-27-0.gif)
CAS RN: 1696425-27-0
1,3,5-Triazine, 2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-074234
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1696425-27-0 / 2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
Basic Information
CAS
1696425-27-0
Multi CAS
No
Molecular Formula
C27H26BN3O2
Molecular Weight
435.300000
Exact Mass
435.211807
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H26BN3O2/c1-26(2)27(3,4)33-28(32-26)22-18-12-11-17-21(22)25-30-23(19-13-7-5-8-14-19)29-24(31-25)20-15-9-6-10-16-20/h5-18H,1-4H3
InChIKey
LILSOUBYWPFKOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
131.85
TPSA
57.13
LogP / Solubility
WLOGP
5.17
MLOGP
4.58
XLogP3
5.17
Consensus LogP
4.97
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.26
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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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