CAS RN: 202402-01-5
GET-73
Product Availability
Choose a grade to view its available package options.
7 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260118 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250709 | 100mg | Out of stock | Inquiry | |
| Batchno.20251124 | 1g | Out of stock | Inquiry | |
| Batchno.20250612 | 1mg | In stock | Tianjin, Wuhan | Inquiry |
| Batchno.20251011 | 250mg | Out of stock | Inquiry | |
| Batchno.20250422 | 50mg | Out of stock | Inquiry | |
| Batchno.20250409 | 5mg | In stock | Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS202402-01-5
- Purity/Analytical Methods: >99.0%
202402-01-5 / 4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
Basic Information
CAS
202402-01-5
Multi CAS
No
Molecular Formula
C13H16F3NO2
Molecular Weight
275.270000
Exact Mass
275.113313
SMILES
COCCCC(=O)NCC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C13H16F3NO2/c1-19-8-2-3-12(18)17-9-10-4-6-11(7-5-10)13(14,15)16/h4-7H,2-3,8-9H2,1H3,(H,17,18)
InChIKey
QLZOWJNFLXSDSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.4
TPSA
38.33
LogP / Solubility
WLOGP
2.75
MLOGP
2.43
XLogP3
2.1
Consensus LogP
2.43
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.45
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)
-2.45
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 202405-16-1 9-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-nonanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB85368446.gif)
