CAS RN: 2222165-17-3
(1S)-2-METHYL-1-(2-PYRIDYL)PROPYLAMINE 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.20250125 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2222165-17-3
- Purity/Analytical Methods: >99.0%
2222165-17-3 / (1S)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
Basic Information
CAS
2222165-17-3
Multi CAS
No
Molecular Formula
C9H16Cl2N2
Molecular Weight
223.140000
Exact Mass
222.069054
SMILES
CC(C)[C@@H](C1=CC=CC=N1)N.Cl.Cl
InChI
InChI=1S/C9H14N2.2ClH/c1-7(2)9(10)8-5-3-4-6-11-8;;/h3-7,9H,10H2,1-2H3;2*1H/t9-;;/m0../s1
InChIKey
WQMCWVFMBPRHJX-WWPIYYJJSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.5
TPSA
38.91
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-2.25
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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