CAS RN: 569354-60-5
2-(Aminomethyl)-5-fluoro-N-methylbenzamide hydrochloride
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.20250527 | 10mg / 50mg | Out of stock | 15 business days | Inquiry |
- Product code: LINA929092
569354-60-5 / 2-(aminomethyl)-5-fluoro-N-methylbenzamide;hydrochloride
Basic Information
CAS
569354-60-5
Multi CAS
No
Molecular Formula
C9H12CLFN2O
Molecular Weight
218.650000
Exact Mass
218.062219
InChI
InChI=1S/C9H11FN2O.ClH/c1-12-9(13)8-4-7(10)3-2-6(8)5-11;/h2-4H,5,11H2,1H3,(H,12,13);1H
InChIKey
QZLDLACUKDXXJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.93
TPSA
55.12
LogP / Solubility
WLOGP
1.07
MLOGP
0.94
XLogP3
1.07
Consensus LogP
1.03
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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