CAS RN: 2097938-67-3
1-(Pyridin-4-yl)butan-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.20260404 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINP901236
2097938-67-3 / 1-pyridin-4-ylbutan-1-amine;dihydrochloride
Basic Information
CAS
2097938-67-3
Multi CAS
No
Molecular Formula
C9H16Cl2N2
Molecular Weight
223.140000
Exact Mass
222.069054
SMILES
CCCC(C1=CC=NC=C1)N.Cl.Cl
InChI
InChI=1S/C9H14N2.2ClH/c1-2-3-9(10)8-4-6-11-7-5-8;;/h4-7,9H,2-3,10H2,1H3;2*1H
InChIKey
BIZHBBFUWNAPCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.57
TPSA
38.91
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
2.73
Consensus LogP
2.62
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.15
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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