CAS RN: 451491-47-7
N-(4-Chloro-3-trifluoromethyl-phenyl)-2-ethoxy-benzamide
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250415 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251106 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251201 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250804 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251226 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260111 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS451491-47-7
- Purity/Analytical Methods: >99.0%
451491-47-7 / N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
Basic Information
CAS
451491-47-7
Multi CAS
No
Molecular Formula
C16H13CLF3NO2
Molecular Weight
343.730000
Exact Mass
343.058691
InChI
InChI=1S/C16H13ClF3NO2/c1-2-23-14-6-4-3-5-11(14)15(22)21-10-7-8-13(17)12(9-10)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKey
YDXZSNHARVUYNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
82.02
TPSA
38.33
LogP / Solubility
WLOGP
5.01
MLOGP
4.43
XLogP3
4.6
Consensus LogP
4.68
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 451493-31-5 2-PropenaMide, N-[4-[(3-chloro-4-fluorophenyl)aMino]-7-[3-Methyl-3-(4-Methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-Methylbenzenesulfonate (1:2) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/451493-31-5.gif)
