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CAS RN: 352637-16-2
2,2,2-trifluoro-N-(quinolin-3-yl)acetaMide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260620 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS352637-16-2
- Purity/Analytical Methods: >99.0%
352637-16-2 / 2,2,2-trifluoro-N-quinolin-3-ylacetamide
Basic Information
CAS
352637-16-2
Multi CAS
No
Molecular Formula
C11F3H7N2O
Molecular Weight
240.180000
Exact Mass
240.051047
InChI
InChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-8-5-7-3-1-2-4-9(7)15-6-8/h1-6H,(H,16,17)
InChIKey
VTLDQNBRKSUBBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.43
TPSA
41.99
LogP / Solubility
WLOGP
2.74
MLOGP
2.41
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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