![CAS 1228449-89-5 spiro[2.5]octan-5-amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228449-89-5.gif)
CAS RN: 1228449-89-5
spiro[2.5]octan-5-amine hydrochloride
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.20260430 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1228449-89-5
- Purity/Analytical Methods: >99.0%
1228449-89-5 / spiro[2.5]octan-7-amine;hydrochloride
Basic Information
CAS
1228449-89-5
Multi CAS
No
Molecular Formula
C8H16ClN
Molecular Weight
161.670000
Exact Mass
161.097127
SMILES
C1CC(CC2(C1)CC2)N.Cl
InChI
InChI=1S/C8H15N.ClH/c9-7-2-1-3-8(6-7)4-5-8;/h7H,1-6,9H2;1H
InChIKey
JKARISDTSFCQGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.36
TPSA
26.02
LogP / Solubility
WLOGP
2.09
MLOGP
1.83
XLogP3
2.09
Consensus LogP
2
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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