CAS RN: 1011244-68-0
N-(5-Amino-2-pyridinyl)-4-trifluoromethylbenzamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251212 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1011244-68-0
- Purity/Analytical Methods: >99.0%
1011244-68-0 / N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide
N-(5-Amino-2-pyridinyl)-4-trifluoromethylbenzamide | TFAP cpd | RefChem:926909
Basic Information
CAS
1011244-68-0
Multi CAS
No
Molecular Formula
C13H10F3N3O
Molecular Weight
281.230000
Exact Mass
281.077596
SMILES
C1=CC(=CC=C1C(=O)NC2=NC=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-8(2-4-9)12(20)19-11-6-5-10(17)7-18-11/h1-7H,17H2,(H,18,19,20)
InChIKey
BTCFFMPDIBWZLF-UHFFFAOYSA-N
Synonyms
N-(5-Amino-2-pyridinyl)-4-trifluoromethylbenzamide
TFAP cpd
RefChem:926909
TFAP
N-(5-aminopyridin-2-yl)-4-(trifluoromethyl)benzamide
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.05
TPSA
68.01
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
2.2
Consensus LogP
2.57
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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