CAS RN: 2177257-68-8
(S)-1-(2-METHOXYPYRIDIN-4-YL)ETHANAMINE DIHYDROCHLORIDE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2177257-68-8
- Purity/Analytical Methods: >99.0%
2177257-68-8 / (1S)-1-(2-methoxy-4-pyridinyl)ethanamine;dihydrochloride
Basic Information
CAS
2177257-68-8
Multi CAS
No
Molecular Formula
C8H14Cl2N2O
Molecular Weight
225.110000
Exact Mass
224.048319
SMILES
C[C@@H](C1=CC(=NC=C1)OC)N.Cl.Cl
InChI
InChI=1S/C8H12N2O.2ClH/c1-6(9)7-3-4-10-8(5-7)11-2;;/h3-6H,9H2,1-2H3;2*1H/t6-;;/m0../s1
InChIKey
IHKGPAMFFJTIDG-ILKKLZGPSA-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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![CAS 2177258-86-3 8-Tert-Butyl3-Ethyl2,8-Diazaspiro[4.5]Decane-3,8-Dicarboxylate Mesylate* molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177258-86-3.png)
