CAS RN: 1640848-93-6
(R)-2-Amino-2-(2-methoxypyridin-4-yl)ethanol 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.20250415 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1640848-93-6
- Purity/Analytical Methods: >99.0%
1640848-93-6 / (2R)-2-amino-2-(2-methoxy-4-pyridinyl)ethanol;dihydrochloride
Basic Information
CAS
1640848-93-6
Multi CAS
No
Molecular Formula
C8H14Cl2N2O2
Molecular Weight
241.110000
Exact Mass
240.043233
SMILES
COC1=NC=CC(=C1)[C@H](CO)N.Cl.Cl
InChI
InChI=1S/C8H12N2O2.2ClH/c1-12-8-4-6(2-3-10-8)7(9)5-11;;/h2-4,7,11H,5,9H2,1H3;2*1H/t7-;;/m0../s1
InChIKey
KZPYABFLAGAYEU-KLXURFKVSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.3
TPSA
68.37
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
0.93
Consensus LogP
0.89
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.53
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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