CAS RN: 40154-80-1
(1S)-1-(PYRIDIN-4-YL)ETHAN-1-AMINE 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.20250228 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40154-80-1
- Purity/Analytical Methods: >99.0%
40154-80-1 / 1-pyridin-4-ylethanamine;dihydrochloride
Basic Information
CAS
40154-80-1
Multi CAS
Yes
Molecular Formula
C7H12CL2N2
Molecular Weight
195.090000
Exact Mass
194.037754
InChI
InChI=1S/C7H10N2.2ClH/c1-6(8)7-2-4-9-5-3-7;;/h2-6H,8H2,1H3;2*1H/t6-;;/m0../s1
InChIKey
JDRXYBFUHCUEFT-ILKKLZGPSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.34
TPSA
38.91
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.94
Consensus LogP
1.86
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.53
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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(S)-1-(pyridin-3-yl)ethanamine dihydrochloride
- CAS RN: 40154-84-5
- Product Code: SSC-148154
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