CAS RN: 29124-62-7
N-(4-bromo-2-trifluoromethl-pheny)-Acetamide
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.20260502 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS29124-62-7
- Purity/Analytical Methods: >99.0%
29124-62-7 / N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide
Basic Information
CAS
29124-62-7
Multi CAS
No
Molecular Formula
BC9H7NORf3
Molecular Weight
282.060000
Exact Mass
280.966310
InChI
InChI=1S/C9H7BrF3NO/c1-5(15)14-8-3-2-6(10)4-7(8)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKey
NJOVPNJSJCCCEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.45
TPSA
29.1
LogP / Solubility
WLOGP
3.43
MLOGP
3.02
XLogP3
2
Consensus LogP
2.82
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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