CAS RN: 2389009-07-6
(R)-1-(6-METHOXYPYRIDIN-3-YL)ETHANAMINE DIHYDROCHLORIDE
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.20251104 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2389009-07-6
- Purity/Analytical Methods: >99.0%
2389009-07-6 / 1-(6-methoxy-3-pyridinyl)ethanamine;dihydrochloride
Basic Information
CAS
2389009-07-6
Multi CAS
No
Molecular Formula
C8H14Cl2N2O
Molecular Weight
225.110000
Exact Mass
224.048319
SMILES
CC(C1=CN=C(C=C1)OC)N.Cl.Cl
InChI
InChI=1S/C8H12N2O.2ClH/c1-6(9)7-3-4-8(11-2)10-5-7;;/h3-6H,9H2,1-2H3;2*1H/t6-;;/m1../s1
InChIKey
ZDHBJMQCWYHNLS-QYCVXMPOSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.89
TPSA
48.14
LogP / Solubility
WLOGP
1.95
MLOGP
1.72
XLogP3
1.95
Consensus LogP
1.87
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.71
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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