CAS RN: 159020-73-2
N-(4-Fluoro-2-methyl-6-nitrophenyl)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.20250302 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS159020-73-2
- Purity/Analytical Methods: >99.0%
159020-73-2 / N-(4-fluoro-2-methyl-6-nitrophenyl)acetamide
Basic Information
CAS
159020-73-2
Multi CAS
No
Molecular Formula
C9H9FN2O3
Molecular Weight
212.180000
Exact Mass
212.059720
SMILES
CC1=CC(=CC(=C1NC(=O)C)[N+](=O)[O-])F
InChI
InChI=1S/C9H9FN2O3/c1-5-3-7(10)4-8(12(14)15)9(5)11-6(2)13/h3-4H,1-2H3,(H,11,13)
InChIKey
SXWXRACCNAGROO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.1
TPSA
72.24
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
0.9
Consensus LogP
1.55
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.59
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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