![CAS 2095467-43-7 2-Pyridineethanamine, N-methyl-N-[2-(2-pyridinyl)ethyl]-, hydrochloride (1:3) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095467-43-7.png)
CAS RN: 2095467-43-7
2-Pyridineethanamine, N-methyl-N-[2-(2-pyridinyl)ethyl]-, hydrochloride (1:3)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260110 | 25mg / 100mg / 500mg / 1g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS2095467-43-7
- Purity/Analytical Methods: >99.0%
2095467-43-7 / N-methyl-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;trihydrochloride
Basic Information
CAS
2095467-43-7
Multi CAS
No
Molecular Formula
C15H22Cl3N3
Molecular Weight
350.700000
Exact Mass
349.087931
SMILES
CN(CCC1=CC=CC=N1)CCC2=CC=CC=N2.Cl.Cl.Cl
InChI
InChI=1S/C15H19N3.3ClH/c1-18(12-8-14-6-2-4-10-16-14)13-9-15-7-3-5-11-17-15;;;/h2-7,10-11H,8-9,12-13H2,1H3;3*1H
InChIKey
WYVMDNINDJIKOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
95.12
TPSA
29.02
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
3.46
Consensus LogP
3.33
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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