![CAS 1823381-46-9 7-Methyl-5-Azaspiro[3.4]Octane Hydrochloride(WXC00481) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823381-46-9.gif)
CAS RN: 1823381-46-9
7-Methyl-5-Azaspiro[3.4]Octane Hydrochloride(WXC00481)
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.20250316 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1823381-46-9
- Purity/Analytical Methods: >99.0%
1823381-46-9 / 7-methyl-5-azaspiro[3.4]octane;hydrochloride
Basic Information
CAS
1823381-46-9
Multi CAS
No
Molecular Formula
C8H16ClN
Molecular Weight
161.670000
Exact Mass
161.097127
SMILES
CC1CC2(CCC2)NC1.Cl
InChI
InChI=1S/C8H15N.ClH/c1-7-5-8(9-6-7)3-2-4-8;/h7,9H,2-6H2,1H3;1H
InChIKey
BCNGREKFUXAHSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.61
TPSA
12.03
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.31
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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