![CAS 2089648-68-8 ethyl 6-azaspiro[3.4]octane-8-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089648-68-8.png)
CAS RN: 2089648-68-8
ethyl 6-azaspiro[3.4]octane-8-carboxylate hydrochloride
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-098343
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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2089648-68-8 / ethyl 6-azaspiro[3.4]octane-8-carboxylate;hydrochloride
Basic Information
CAS
2089648-68-8
Multi CAS
No
Molecular Formula
C10H18ClNO2
Molecular Weight
219.710000
Exact Mass
219.102607
SMILES
CCOC(=O)C1CNCC12CCC2.Cl
InChI
InChI=1S/C10H17NO2.ClH/c1-2-13-9(12)8-6-11-7-10(8)4-3-5-10;/h8,11H,2-7H2,1H3;1H
InChIKey
SUTAGNUWWBZODV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.52
TPSA
38.33
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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