CAS RN: 2442565-25-3
(S)-1-(3-Fluorophenyl)-2-methoxyethanamine 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.20251223 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2442565-25-3
- Purity/Analytical Methods: >99.0%
2442565-25-3 / (1S)-1-(3-fluorophenyl)-2-methoxyethanamine;hydrochloride
Basic Information
CAS
2442565-25-3
Multi CAS
Yes
Molecular Formula
C9H13ClFNO
Molecular Weight
205.660000
Exact Mass
205.066970
InChI
InChI=1S/C9H12FNO.ClH/c1-12-6-9(11)7-3-2-4-8(10)5-7;/h2-5,9H,6,11H2,1H3;1H/t9-;/m1./s1
InChIKey
QOSVPONCJXJVGP-SBSPUUFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.45
TPSA
35.25
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.89
Consensus LogP
1.82
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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