CAS RN: 654-20-6
3-FLUORO-2-METHYLANILINE 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.20250704 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS654-20-6
- Purity/Analytical Methods: >99.0%
654-20-6 / 3-fluoro-2-methylaniline;hydrochloride
Basic Information
CAS
654-20-6
Multi CAS
No
Molecular Formula
C7H9CLFN
Molecular Weight
161.600000
Exact Mass
161.040755
InChI
InChI=1S/C7H8FN.ClH/c1-5-6(8)3-2-4-7(5)9;/h2-4H,9H2,1H3;1H
InChIKey
YCTLWGTWWGGTTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.8
TPSA
26.02
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
2.14
Consensus LogP
2.05
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.19
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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