CAS RN: 1228879-25-1
1-(PYRIDIN-4-YL)PROPAN-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.20250527 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1228879-25-1
- Purity/Analytical Methods: >99.0%
1228879-25-1 / 1-pyridin-4-ylpropan-1-amine;dihydrochloride
Basic Information
CAS
1228879-25-1
Multi CAS
No
Molecular Formula
C8H14Cl2N2
Molecular Weight
209.110000
Exact Mass
208.053404
SMILES
CCC(C1=CC=NC=C1)N.Cl.Cl
InChI
InChI=1S/C8H12N2.2ClH/c1-2-8(9)7-3-5-10-6-4-7;;/h3-6,8H,2,9H2,1H3;2*1H
InChIKey
UXBYFXNZLPFVEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.95
TPSA
38.91
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
2.34
Consensus LogP
2.25
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.34
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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