![CAS 392721-37-8 N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/392721-37-8.gif)
CAS RN: 392721-37-8
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide
Product Availability
Choose a grade to view its available package options.
9 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260501 | 5mg / 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250817 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250710 | 10mg | In stock | Wuhan | Inquiry | |
| Batchno.20260507 | 1g | Out of stock | Inquiry | ||
| Batchno.20250809 | 1mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260414 | 250mg | Out of stock | Inquiry | ||
| Batchno.20251119 | 25mg | In stock | Wuhan | Inquiry | |
| Batchno.20250425 | 50mg | In stock | Wuhan | Inquiry | |
| Batchno.20251228 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS392721-37-8
- Purity/Analytical Methods: >99.0%
392721-37-8 / N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide
Basic Information
CAS
392721-37-8
Multi CAS
No
Molecular Formula
C11H9CLF3NO2
Molecular Weight
279.640000
Exact Mass
279.027391
InChI
InChI=1S/C11H9ClF3NO2/c1-6(17)4-10(18)16-7-2-3-9(12)8(5-7)11(13,14)15/h2-3,5H,4H2,1H3,(H,16,18)
InChIKey
GNYIJZMBLZXJEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.38
TPSA
46.17
LogP / Solubility
WLOGP
3.28
MLOGP
2.89
XLogP3
3.7
Consensus LogP
3.29
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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