CAS RN: 658700-20-0
3-FLUORO-N-METHYL-4-NITROBENZAMIDE
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.20260506 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS658700-20-0
- Purity/Analytical Methods: >99.0%
658700-20-0 / 3-fluoro-N-methyl-4-nitrobenzamide
Basic Information
CAS
658700-20-0
Multi CAS
No
Molecular Formula
C8FH7N2O3
Molecular Weight
198.150000
Exact Mass
198.044070
InChI
InChI=1S/C8H7FN2O3/c1-10-8(12)5-2-3-7(11(13)14)6(9)4-5/h2-4H,1H3,(H,10,12)
InChIKey
NWCCVNYDXFXGOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.44
TPSA
72.24
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
1.6
Consensus LogP
1.22
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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