![CAS 625128-23-6 N-[2-[4-(trifluoromethyl)phenylethyl]-acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/625128-23-6.gif)
CAS RN: 625128-23-6
N-[2-[4-(trifluoromethyl)phenylethyl]-acetamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260403 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS625128-23-6
- Purity/Analytical Methods: >99.0%
625128-23-6 / N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
Basic Information
CAS
625128-23-6
Multi CAS
No
Molecular Formula
C11F3H12NO
Molecular Weight
231.210000
Exact Mass
231.087098
InChI
InChI=1S/C11H12F3NO/c1-8(16)15-7-6-9-2-4-10(5-3-9)11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKey
TYJGVPBXNRCDBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.83
TPSA
29.1
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
2.4
Consensus LogP
2.29
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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