[email protected]
CAS 1961206-09-6 Acetamide, N-[1,2-dihydro-2-oxo-5-(trifluoromethyl)-3-pyridinyl]- molecular structure lightbox
CAS RN: 1961206-09-6

Acetamide, N-[1,2-dihydro-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250119 100mg In stock Inquiry
Batchno.20251214 1g In stock Inquiry
Batchno.20250327 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260516 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1961206-09-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1961206-09-6 / N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

Standard CAS: 1961206-09-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1961206-09-6
Multi CAS
No
Molecular Formula
C8H7F3N2O2
Molecular Weight
220.150000
Exact Mass
220.045962
SMILES
CC(=O)NC1=CC(=CNC1=O)C(F)(F)F
InChI
InChI=1S/C8H7F3N2O2/c1-4(14)13-6-2-5(8(9,10)11)3-12-7(6)15/h2-3H,1H3,(H,12,15)(H,13,14)
InChIKey
SEXUKPGDELONHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.37
TPSA
61.96

LogP / Solubility

WLOGP
1.35
MLOGP
1.19
Consensus LogP
0.85
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

Customers Also Viewed

Get In Touch

Contact Us