![CAS 1061358-71-1 2-[2-Chloro-5-(trifluoroMethyl)pyridin-4-ylaMino]-N-MethylbenzaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1061358-71-1.gif)
CAS RN: 1061358-71-1
2-[2-Chloro-5-(trifluoroMethyl)pyridin-4-ylaMino]-N-MethylbenzaMide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260317 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1061358-71-1
- Purity/Analytical Methods: >99.0%
1061358-71-1 / 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
2-((2-Chloro-5-(trifluoromethyl)pyridin-4-yl)amino)-N-methylbenzamide | 2-[2-Chloro-5-(trifluoromethyl)pyridin-4-ylamino]-N-methylbenzamide | 2-[[2-Chloro-5-(trifluoromethyl)-4-pyridyl]amino]-N-methyl-benZamide
Basic Information
CAS
1061358-71-1
Multi CAS
No
Molecular Formula
C14H11ClF3N3O
Molecular Weight
329.700000
Exact Mass
329.054274
SMILES
CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)Cl
InChI
InChI=1S/C14H11ClF3N3O/c1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18/h2-7H,1H3,(H,19,22)(H,20,21)
InChIKey
BLDAPDVJFOJWMZ-UHFFFAOYSA-N
Synonyms
2-((2-Chloro-5-(trifluoromethyl)pyridin-4-yl)amino)-N-methylbenzamide
2-[2-Chloro-5-(trifluoromethyl)pyridin-4-ylamino]-N-methylbenzamide
2-[[2-Chloro-5-(trifluoromethyl)-4-pyridyl]amino]-N-methyl-benZamide
2-[[2-chloro-5-(trifluoromethyl)pyridin-4-yl]amino]-N-methylbenzamide
2-(2-chloro-5-(trifluoromethyl)pyridin-4-ylamino)-N-methylbenzamide
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.36
TPSA
54.02
LogP / Solubility
WLOGP
3.86
MLOGP
3.41
XLogP3
4.1
Consensus LogP
3.79
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble
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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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