CAS RN: 74702-40-2
4-(Trifluoromethyl)formanilide
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.20250906 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS74702-40-2
- Purity/Analytical Methods: >99.0%
74702-40-2 / N-[4-(trifluoromethyl)phenyl]formamide
Basic Information
CAS
74702-40-2
Multi CAS
No
Molecular Formula
C8F3H6NO
Molecular Weight
189.130000
Exact Mass
189.040148
InChI
InChI=1S/C8H6F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-5H,(H,12,13)
InChIKey
VBKNPSYHKKJAFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.13
TPSA
29.1
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2.1
Consensus LogP
2.12
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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