CAS RN: 1766-14-9
2′,3′,5′,6′-TETRAFLUOROACETANILIDE
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.20250425 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1766-14-9
- Purity/Analytical Methods: >99.0%
1766-14-9 / N-(2,3,5,6-tetrafluorophenyl)acetamide
Basic Information
CAS
1766-14-9
Multi CAS
No
Molecular Formula
C8H5F4NO
Molecular Weight
207.120000
Exact Mass
207.030726
SMILES
CC(=O)NC1=C(C(=CC(=C1F)F)F)F
InChI
InChI=1S/C8H5F4NO/c1-3(14)13-8-6(11)4(9)2-5(10)7(8)12/h2H,1H3,(H,13,14)
InChIKey
YACCDYDHWZNJOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.58
TPSA
29.1
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
1.6
Consensus LogP
1.91
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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