![CAS 1283099-24-0 4,7-dibroMo-2-(2-butyloctyl)-5,6-difluoro-2H-benzo[d][1,2,3]triazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1283099-24-0.gif)
CAS RN: 1283099-24-0
4,7-dibroMo-2-(2-butyloctyl)-5,6-difluoro-2H-benzo[d][1,2,3]triazole
Product Availability
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4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250816 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1283099-24-0
- Purity/Analytical Methods: >99.0%
1283099-24-0 / 4,7-dibromo-2-(2-butyloctyl)-5,6-difluorobenzotriazole
Basic Information
CAS
1283099-24-0
Multi CAS
No
Molecular Formula
C18H25Br2F2N3
Molecular Weight
481.200000
Exact Mass
481.036280
SMILES
CCCCCCC(CCCC)CN1N=C2C(=C(C(=C(C2=N1)Br)F)F)Br
InChI
InChI=1S/C18H25Br2F2N3/c1-3-5-7-8-10-12(9-6-4-2)11-25-23-17-13(19)15(21)16(22)14(20)18(17)24-25/h12H,3-11H2,1-2H3
InChIKey
YUIYJUAMLBSXOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
10
H-bond acceptors
3
Molar refractivity
104.62
TPSA
30.71
LogP / Solubility
WLOGP
7.01
MLOGP
6.2
XLogP3
8.5
Consensus LogP
7.24
Log S (ESOL)
-6.85
Class (ESOL)
Insoluble
Log S (Ali)
-8.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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