![CAS 1266389-19-8 3-Bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-Carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1266389-19-8.png)
CAS RN: 1266389-19-8
3-Bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-Carbazole
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.20250208 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1266389-19-8
- Purity/Analytical Methods: >99.0%
1266389-19-8 / 3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
Basic Information
CAS
1266389-19-8
Multi CAS
No
Molecular Formula
C33H21BrN4
Molecular Weight
553.400000
Exact Mass
552.094960
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=C(C=C(C=C5)Br)C6=CC=CC=C64)C7=CC=CC=C7
InChI
InChI=1S/C33H21BrN4/c34-25-18-19-30-28(21-25)27-16-7-8-17-29(27)38(30)26-15-9-14-24(20-26)33-36-31(22-10-3-1-4-11-22)35-32(37-33)23-12-5-2-6-13-23/h1-21H
InChIKey
VKGKRBLWDUGNGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
37
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
158.17
TPSA
43.6
LogP / Solubility
WLOGP
8.73
MLOGP
7.73
XLogP3
8.7
Consensus LogP
8.39
Log S (ESOL)
-9.23
Class (ESOL)
Insoluble
Log S (Ali)
-10.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.99
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)
0.1
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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