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CAS RN: 306761-17-1
2-(3,4-DIFLUOROPHENYL)PROPAN-2-AMINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250726 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS306761-17-1
- Purity/Analytical Methods: >99.0%
306761-17-1 / 2-(3,4-difluorophenyl)propan-2-amine
Basic Information
CAS
306761-17-1
Multi CAS
No
Molecular Formula
C9F2H11N
Molecular Weight
171.190000
Exact Mass
171.085956
InChI
InChI=1S/C9H11F2N/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5H,12H2,1-2H3
InChIKey
BKEJWQVDJHFFAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.57
TPSA
26.02
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
1.6
Consensus LogP
1.89
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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