CAS RN: 202825-43-2
(S)-2-((4-((4-fluorobenzyl)oxy)benzyl)amino)propanamide
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.20260129 | 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS202825-43-2
- Purity/Analytical Methods: >99.0%
202825-43-2 / (2S)-2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propanamide
Basic Information
CAS
202825-43-2
Multi CAS
No
Molecular Formula
C17H19FN2O2
Molecular Weight
302.340000
Exact Mass
302.143056
SMILES
C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC=C(C=C2)F
InChI
InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-4-8-16(9-5-13)22-11-14-2-6-15(18)7-3-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
InChIKey
KAWCXZXQTSSDOQ-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.67
TPSA
64.35
LogP / Solubility
WLOGP
2.37
MLOGP
2.1
XLogP3
2.2
Consensus LogP
2.22
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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