CAS RN: 886502-14-3
2-Fluoro-6-methylbenzamide
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.20260123 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS886502-14-3
- Purity/Analytical Methods: >99.0%
886502-14-3 / 2-fluoro-6-methylbenzamide
Basic Information
CAS
886502-14-3
Multi CAS
No
Molecular Formula
C8FH8NO
Molecular Weight
153.150000
Exact Mass
153.058992
InChI
InChI=1S/C8H8FNO/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKey
OUXVHAKOKPMVCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.65
TPSA
43.09
LogP / Solubility
WLOGP
1.23
MLOGP
1.08
XLogP3
0.4
Consensus LogP
0.9
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
