CAS RN: 51332-24-2
4-BROMO-N,N-DIMETHYL-3-(TRIFLUOROMETHYL)ANILINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251221 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS51332-24-2
- Purity/Analytical Methods: >99.0%
51332-24-2 / 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
Basic Information
CAS
51332-24-2
Multi CAS
Yes
Molecular Formula
BC9H9NRf3
Molecular Weight
268.070000
Exact Mass
266.987050
InChI
InChI=1S/C9H9BrF3N/c1-14(2)6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,1-2H3
InChIKey
DBSFECXQLNDZAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
53.47
TPSA
3.24
LogP / Solubility
WLOGP
3.53
MLOGP
3.12
XLogP3
3.6
Consensus LogP
3.42
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
