![CAS 1563332-28-4 4,7-dibromo-5,6-difluoro-2-(2-hexyldecyl)-2H-benzo[d][1,2,3]triazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1563332-28-4.gif)
CAS RN: 1563332-28-4
4,7-dibromo-5,6-difluoro-2-(2-hexyldecyl)-2H-benzo[d][1,2,3]triazole
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: starshine_CAS1563332-28-4
- Purity/Analytical Methods: >99.0%
1563332-28-4 / 4,7-dibromo-5,6-difluoro-2-(2-hexyldecyl)benzotriazole
Basic Information
CAS
1563332-28-4
Multi CAS
No
Molecular Formula
C22H33Br2F2N3
Molecular Weight
537.300000
Exact Mass
537.098880
SMILES
CCCCCCCCC(CCCCCC)CN1N=C2C(=C(C(=C(C2=N1)Br)F)F)Br
InChI
InChI=1S/C22H33Br2F2N3/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-29-27-21-17(23)19(25)20(26)18(24)22(21)28-29/h16H,3-15H2,1-2H3
InChIKey
UVGLJKBXNVRVAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
9
Fraction Csp3
0.73
Rotatable bonds
14
H-bond acceptors
3
Molar refractivity
123.09
TPSA
30.71
LogP / Solubility
WLOGP
8.57
MLOGP
7.58
XLogP3
10.6
Consensus LogP
8.92
Log S (ESOL)
-7.88
Class (ESOL)
Insoluble
Log S (Ali)
-10.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.95
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)
0.09
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
3
Customers Also Viewed
-
4-bromo-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole
- CAS RN: 1563531-47-4
- Product Code: SSC-065360
-
-
(S)-1-(5-fluoro-2-((4-methoxybenzyl)oxy)phenyl)ethan-1-amine
- CAS RN: 1563601-55-7
- Product Code: starshine_CAS1563601-55-7
- Purity/Analytical method: >99.0%
-
3,4-Seco-3-oxobisabol-10-ene-4,1-olide
- CAS RN: 1564265-85-5
- Product Code: starshine_CAS1564265-85-5
- Purity/Analytical method: >99.0%
-
2-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-(aMinocarbonyl)-, 1,1-diMethylethyl ester, (1R,3R,5R)-
- CAS RN: 1564266-54-1
- Product Code: SSC-065391
-
(R)-BAY1238097
- CAS RN: 1564269-85-7
- Product Code: starshine_CAS1564269-85-7
- Purity/Analytical method: >99.0%
![CAS 1564266-54-1 2-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-(aMinocarbonyl)-, 1,1-diMethylethyl ester, (1R,3R,5R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1564266-54-1.gif)
