CAS RN: 1212996-56-9
(1R)-1-(5-fluoro-2-methoxypyridin-3-yl)ethanamine
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.20251013 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1212996-56-9
- Purity/Analytical Methods: >99.0%
1212996-56-9 / (1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine
(R)-1-(5-FLUORO-2-METHOXYPYRIDIN-3-YL)ETHAN-1-AMINE | (R)-1-(5-fluoro-2-methoxypyridin-3-yl)ethanamine | C8H11FN2O
Basic Information
CAS
1212996-56-9
Multi CAS
Yes
Molecular Formula
C8H11FN2O
Molecular Weight
170.180000
Exact Mass
170.085541
SMILES
C[C@H](C1=C(N=CC(=C1)F)OC)N
InChI
InChI=1S/C8H11FN2O/c1-5(10)7-3-6(9)4-11-8(7)12-2/h3-5H,10H2,1-2H3/t5-/m1/s1
InChIKey
SNKPNKLWTBUEMR-RXMQYKEDSA-N
Synonyms
(R)-1-(5-FLUORO-2-METHOXYPYRIDIN-3-YL)ETHAN-1-AMINE
(R)-1-(5-fluoro-2-methoxypyridin-3-yl)ethanamine
C8H11FN2O
(1R)-1-(5-Fluoro-2-methoxypyridin-3-yl)ethanamine
(1R)-1-(5-fluoro-2-methoxy-3-pyridyl)ethanamine
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.35
TPSA
48.14
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
0.5
Consensus LogP
0.95
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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