CAS RN: 86010-68-6
N-((4-FLUOROPHENYL)METHYL)ETHANAMIDE
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.20260309 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS86010-68-6
- Purity/Analytical Methods: >99.0%
86010-68-6 / N-[(4-fluorophenyl)methyl]acetamide
Basic Information
CAS
86010-68-6
Multi CAS
No
Molecular Formula
C9FH10NO
Molecular Weight
167.180000
Exact Mass
167.074642
InChI
InChI=1S/C9H10FNO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12)
InChIKey
IHNHPSHMZGCDCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.92
TPSA
29.1
LogP / Solubility
WLOGP
1.46
MLOGP
1.28
XLogP3
1.1
Consensus LogP
1.28
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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